4-[3,6-bis(hydroxymethyl)carbazol-9-yl]-2-carbazol-9-yl-6-(3,6-dimethoxycarbazol-9-yl)-5-[3-(hydroxymethyl)-6-methoxycarbazol-9-yl]-3-isocyanobenzonitrile;2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-6-carbazol-9-yl-4-(3,6-dimethylcarbazol-9-yl)-5-isocyano-3-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]benzonitrile;2,3,4-tri(carbazol-9-yl)-5-isocyano-6-(1,2,3,4,5,6,7,8-octafluorocarbazol-9-yl)benzonitrile

C180H103F17N18O6 — CID 159536579

IUPAC4-[3,6-bis(hydroxymethyl)carbazol-9-yl]-2-carbazol-9-yl-6-(3,6-dimethoxycarbazol-9-yl)-5-[3-(hydroxymethyl)-6-methoxycarbazol-9-yl]-3-isocyanobenzonitrile;2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-6-carbazol-9-yl-4-(3,6-dimethylcarbazol-9-yl)-5-isocyano-3-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]benzonitrile;2,3,4-tri(carbazol-9-yl)-5-isocyano-6-(1,2,3,4,5,6,7,8-octafluorocarbazol-9-yl)benzonitrile
SMILES[C-]#[N+]c1c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c(C#N)c1-n1c2c(F)c(F)c(F)c(F)c2c2c(F)c(F)c(F)c(F)c21.[C-]#[N+]c1c(-n2c3ccccc3c3ccccc32)c(C#N)c(-n2c3ccc(C(F)(F)F)cc3c3cc(C(F)(F)F)ccc32)c(-n2c3ccc(C)cc3c3cc(C(F)(F)F)ccc32)c1-n1c2ccc(C)cc2c2cc(C)ccc21.[C-]#[N+]c1c(-n2c3ccccc3c3ccccc32)c(C#N)c(-n2c3ccc(OC)cc3c3cc(OC)ccc32)c(-n2c3ccc(CO)cc3c3cc(OC)ccc32)c1-n1c2ccc(CO)cc2c2cc(CO)ccc21
InChIInChI=1S/C62H35F9N6.C62H44N6O6.C56H24F8N6/c1-32-13-19-49-40(25-32)41-26-33(2)14-20-50(41)76(49)58-55(73-4)56(74-47-11-7-5-9-38(47)39-10-6-8-12-48(39)74)46(31-72)57(59(58)77-51-21-15-34(3)27-42(51)43-28-35(60(63,64)65)18-24-54(43)77)75-52-22-16-36(61(66,67)68)29-44(52)45-30-37(62(69,70)71)17-23-53(45)75;1-64-58-59(65-50-11-7-5-9-41(50)42-10-6-8-12-51(42)65)49(31-63)60(66-55-22-16-39(73-3)29-47(55)48-30-40(74-4)17-23-56(48)66)62(68-54-21-15-37(34-71)27-45(54)46-28-38(72-2)18-24-57(46)68)61(58)67-52-19-13-35(32-69)25-43(52)44-26-36(33-70)14-20-53(44)67;1-66-50-51(70-53-40(42(57)44(59)46(61)48(53)63)41-43(58)45(60)47(62)49(64)54(41)70)33(26-65)52(67-34-20-8-2-14-27(34)28-15-3-9-21-35(28)67)56(69-38-24-12-6-18-31(38)32-19-7-13-25-39(32)69)55(50)68-36-22-10-4-16-29(36)30-17-5-11-23-37(30)68/h5-30H,1-3H3;5-30,69-71H,32-34H2,2-4H3;2-25H
InChIKeyMDQZRMRVZSCOIW-UHFFFAOYSA-N
MW2936.89 g/mol
LogP47.09
Rot. Bonds18

About 4-[3,6-bis(hydroxymethyl)carbazol-9-yl]-2-carbazol-9-yl-6-(3,6-dimethoxycarbazol-9-yl)-5-[3-(hydroxymethyl)-6-methoxycarbazol-9-yl]-3-isocyanobenzonitrile;2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-6-carbazol-9-yl-4-(3,6-dimethylcarbazol-9-yl)-5-isocyano-3-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]benzonitrile;2,3,4-tri(carbazol-9-yl)-5-isocyano-6-(1,2,3,4,5,6,7,8-octafluorocarbazol-9-yl)benzonitrile

4-[3,6-bis(hydroxymethyl)carbazol-9-yl]-2-carbazol-9-yl-6-(3,6-dimethoxycarbazol-9-yl)-5-[3-(hydroxymethyl)-6-methoxycarbazol-9-yl]-3-isocyanobenzonitrile;2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-6-carbazol-9-yl-4-(3,6-dimethylcarbazol-9-yl)-5-isocyano-3-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]benzonitrile;2,3,4-tri(carbazol-9-yl)-5-isocyano-6-(1,2,3,4,5,6,7,8-octafluorocarbazol-9-yl)benzonitrile (PubChem CID 159536579) has the molecular formula C180H103F17N18O6 and a molecular weight of 2936.89 g/mol. Its IUPAC name is 4-[3,6-bis(hydroxymethyl)carbazol-9-yl]-2-carbazol-9-yl-6-(3,6-dimethoxycarbazol-9-yl)-5-[3-(hydroxymethyl)-6-methoxycarbazol-9-yl]-3-isocyanobenzonitrile;2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-6-carbazol-9-yl-4-(3,6-dimethylcarbazol-9-yl)-5-isocyano-3-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]benzonitrile;2,3,4-tri(carbazol-9-yl)-5-isocyano-6-(1,2,3,4,5,6,7,8-octafluorocarbazol-9-yl)benzonitrile.

Molecular Properties

Compound Name4-[3,6-bis(hydroxymethyl)carbazol-9-yl]-2-carbazol-9-yl-6-(3,6-dimethoxycarbazol-9-yl)-5-[3-(hydroxymethyl)-6-methoxycarbazol-9-yl]-3-isocyanobenzonitrile;2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-6-carbazol-9-yl-4-(3,6-dimethylcarbazol-9-yl)-5-isocyano-3-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]benzonitrile;2,3,4-tri(carbazol-9-yl)-5-isocyano-6-(1,2,3,4,5,6,7,8-octafluorocarbazol-9-yl)benzonitrile
PubChem CID159536579
Molecular FormulaC180H103F17N18O6
Molecular Weight2936.89 g/mol
Exact Mass2934.80
IUPAC Name4-[3,6-bis(hydroxymethyl)carbazol-9-yl]-2-carbazol-9-yl-6-(3,6-dimethoxycarbazol-9-yl)-5-[3-(hydroxymethyl)-6-methoxycarbazol-9-yl]-3-isocyanobenzonitrile;2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-6-carbazol-9-yl-4-(3,6-dimethylcarbazol-9-yl)-5-isocyano-3-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]benzonitrile;2,3,4-tri(carbazol-9-yl)-5-isocyano-6-(1,2,3,4,5,6,7,8-octafluorocarbazol-9-yl)benzonitrile
SMILES[C-]#[N+]c1c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c(C#N)c1-n1c2c(F)c(F)c(F)c(F)c2c2c(F)c(F)c(F)c(F)c21.[C-]#[N+]c1c(-n2c3ccccc3c3ccccc32)c(C#N)c(-n2c3ccc(C(F)(F)F)cc3c3cc(C(F)(F)F)ccc32)c(-n2c3ccc(C)cc3c3cc(C(F)(F)F)ccc32)c1-n1c2ccc(C)cc2c2cc(C)ccc21.[C-]#[N+]c1c(-n2c3ccccc3c3ccccc32)c(C#N)c(-n2c3ccc(OC)cc3c3cc(OC)ccc32)c(-n2c3ccc(CO)cc3c3cc(OC)ccc32)c1-n1c2ccc(CO)cc2c2cc(CO)ccc21
InChIInChI=1S/C62H35F9N6.C62H44N6O6.C56H24F8N6/c1-32-13-19-49-40(25-32)41-26-33(2)14-20-50(41)76(49)58-55(73-4)56(74-47-11-7-5-9-38(47)39-10-6-8-12-48(39)74)46(31-72)57(59(58)77-51-21-15-34(3)27-42(51)43-28-35(60(63,64)65)18-24-54(43)77)75-52-22-16-36(61(66,67)68)29-44(52)45-30-37(62(69,70)71)17-23-53(45)75;1-64-58-59(65-50-11-7-5-9-41(50)42-10-6-8-12-51(42)65)49(31-63)60(66-55-22-16-39(73-3)29-47(55)48-30-40(74-4)17-23-56(48)66)62(68-54-21-15-37(34-71)27-45(54)46-28-38(72-2)18-24-57(46)68)61(58)67-52-19-13-35(32-69)25-43(52)44-26-36(33-70)14-20-53(44)67;1-66-50-51(70-53-40(42(57)44(59)46(61)48(53)63)41-43(58)45(60)47(62)49(64)54(41)70)33(26-65)52(67-34-20-8-2-14-27(34)28-15-3-9-21-35(28)67)56(69-38-24-12-6-18-31(38)32-19-7-13-25-39(32)69)55(50)68-36-22-10-4-16-29(36)30-17-5-11-23-37(30)68/h5-30H,1-3H3;5-30,69-71H,32-34H2,2-4H3;2-25H
InChIKeyMDQZRMRVZSCOIW-UHFFFAOYSA-N
XLogP47.09
TPSA231.99 Ų
H-Bond Donors3
H-Bond Acceptors21
Rotatable Bonds18
Heavy Atoms221
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002936.89
LogP ≤ 547.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 4-[3,6-bis(hydroxymethyl)carbazol-9-yl]-2-carbazol-9-yl-6-(3,6-dimethoxycarbazol-9-yl)-5-[3-(hydroxymethyl)-6-methoxycarbazol-9-yl]-3-isocyanobenzonitrile;2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-6-carbazol-9-yl-4-(3,6-dimethylcarbazol-9-yl)-5-isocyano-3-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]benzonitrile;2,3,4-tri(carbazol-9-yl)-5-isocyano-6-(1,2,3,4,5,6,7,8-octafluorocarbazol-9-yl)benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4,5-Bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-(2-cyanophenyl)phenyl]-4-[[9-[4,5-bis(3-cyanophenyl)-2-(2,7-dimethoxycarbazol-9-yl)phenyl]-7-methoxycarbazol-2-yl]oxymethyl]benzonitrile
CID 132112062
2-[3,5-Bis(trifluoromethyl)phenyl]-4,5-bis(3,6-dimethoxycarbazol-9-yl)benzonitrile
CID 134287502
3-[3,5-Bis(trifluoromethyl)phenyl]-2,6-bis(3,6-dimethoxycarbazol-9-yl)benzonitrile
CID 134287540
4-[3,5-Bis(trifluoromethyl)phenyl]-3,5-bis(3,6-dimethoxycarbazol-9-yl)benzonitrile
CID 134287583
4-[3,5-Bis(trifluoromethyl)phenyl]-2,5-bis(3,6-dimethoxycarbazol-9-yl)benzonitrile
CID 134287636
2,6-Bis(3,6-dimethoxycarbazol-9-yl)-3-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile
CID 134295554
4,5-Bis(3,6-dimethoxycarbazol-9-yl)-2-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile
CID 134295561
3,5-Bis(3,6-dimethoxycarbazol-9-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile
CID 134295566
2,5-Bis(3,6-dimethoxycarbazol-9-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile
CID 134295568
2-[3,5-bis(trifluoromethyl)phenyl]-5-(3,6-dimethoxycarbazol-9-yl)-4-(4-methoxy-N-(4-methoxy-2-methylphenyl)anilino)benzonitrile
CID 138567304
[2-(N-[3-(N-[2-(hydroxymethyl)phenyl]-3-methylanilino)-5-naphthalen-2-ylbenzo[b]carbazol-8-yl]-3-methylanilino)phenyl]methanol;[3-(N-[8-(3-methoxy-N-(3-methylphenyl)anilino)-5-naphthalen-1-ylbenzo[b]carbazol-3-yl]-3-methylanilino)phenyl]methanol;3-N-(2-methylphenyl)-3-N,8-N-bis(3-methylphenyl)-5-phenyl-8-N-[2-(trifluoromethyl)phenyl]benzo[b]carbazole-3,8-diamine;3-N,3-N,8-N,8-N-tetrakis(3-methylphenyl)-5-phenylbenzo[b]carbazole-3,8-diamine
CID 157358916
9-[[3,5-bis[[3,6-bis(4-methyl-N-(4-methylphenyl)anilino)carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methylphenyl)carbazole-3,6-diamine;9-[[3-[[3-(4-methoxy-N-(4-methoxyphenyl)anilino)-6-(4-methoxy-N-[4-(trifluoromethoxy)phenyl]anilino)carbazol-9-yl]methyl]-5-[[3-(4-methoxy-N-[4-(trifluoromethoxy)phenyl]anilino)-6-[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine
CID 157577698

Frequently Asked Questions

What is the IUPAC name of 4-[3,6-bis(hydroxymethyl)carbazol-9-yl]-2-carbazol-9-yl-6-(3,6-dimethoxycarbazol-9-yl)-5-[3-(hydroxymethyl)-6-methoxycarbazol-9-yl]-3-isocyanobenzonitrile;2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-6-carbazol-9-yl-4-(3,6-dimethylcarbazol-9-yl)-5-isocyano-3-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]benzonitrile;2,3,4-tri(carbazol-9-yl)-5-isocyano-6-(1,2,3,4,5,6,7,8-octafluorocarbazol-9-yl)benzonitrile?
The IUPAC name of 4-[3,6-bis(hydroxymethyl)carbazol-9-yl]-2-carbazol-9-yl-6-(3,6-dimethoxycarbazol-9-yl)-5-[3-(hydroxymethyl)-6-methoxycarbazol-9-yl]-3-isocyanobenzonitrile;2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-6-carbazol-9-yl-4-(3,6-dimethylcarbazol-9-yl)-5-isocyano-3-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]benzonitrile;2,3,4-tri(carbazol-9-yl)-5-isocyano-6-(1,2,3,4,5,6,7,8-octafluorocarbazol-9-yl)benzonitrile (CID 159536579) is 4-[3,6-bis(hydroxymethyl)carbazol-9-yl]-2-carbazol-9-yl-6-(3,6-dimethoxycarbazol-9-yl)-5-[3-(hydroxymethyl)-6-methoxycarbazol-9-yl]-3-isocyanobenzonitrile;2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-6-carbazol-9-yl-4-(3,6-dimethylcarbazol-9-yl)-5-isocyano-3-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]benzonitrile;2,3,4-tri(carbazol-9-yl)-5-isocyano-6-(1,2,3,4,5,6,7,8-octafluorocarbazol-9-yl)benzonitrile.
What is the SMILES notation for 4-[3,6-bis(hydroxymethyl)carbazol-9-yl]-2-carbazol-9-yl-6-(3,6-dimethoxycarbazol-9-yl)-5-[3-(hydroxymethyl)-6-methoxycarbazol-9-yl]-3-isocyanobenzonitrile;2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-6-carbazol-9-yl-4-(3,6-dimethylcarbazol-9-yl)-5-isocyano-3-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]benzonitrile;2,3,4-tri(carbazol-9-yl)-5-isocyano-6-(1,2,3,4,5,6,7,8-octafluorocarbazol-9-yl)benzonitrile?
The canonical SMILES for 4-[3,6-bis(hydroxymethyl)carbazol-9-yl]-2-carbazol-9-yl-6-(3,6-dimethoxycarbazol-9-yl)-5-[3-(hydroxymethyl)-6-methoxycarbazol-9-yl]-3-isocyanobenzonitrile;2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-6-carbazol-9-yl-4-(3,6-dimethylcarbazol-9-yl)-5-isocyano-3-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]benzonitrile;2,3,4-tri(carbazol-9-yl)-5-isocyano-6-(1,2,3,4,5,6,7,8-octafluorocarbazol-9-yl)benzonitrile is [C-]#[N+]c1c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c(C#N)c1-n1c2c(F)c(F)c(F)c(F)c2c2c(F)c(F)c(F)c(F)c21.[C-]#[N+]c1c(-n2c3ccccc3c3ccccc32)c(C#N)c(-n2c3ccc(C(F)(F)F)cc3c3cc(C(F)(F)F)ccc32)c(-n2c3ccc(C)cc3c3cc(C(F)(F)F)ccc32)c1-n1c2ccc(C)cc2c2cc(C)ccc21.[C-]#[N+]c1c(-n2c3ccccc3c3ccccc32)c(C#N)c(-n2c3ccc(OC)cc3c3cc(OC)ccc32)c(-n2c3ccc(CO)cc3c3cc(OC)ccc32)c1-n1c2ccc(CO)cc2c2cc(CO)ccc21.
What is the InChIKey of 4-[3,6-bis(hydroxymethyl)carbazol-9-yl]-2-carbazol-9-yl-6-(3,6-dimethoxycarbazol-9-yl)-5-[3-(hydroxymethyl)-6-methoxycarbazol-9-yl]-3-isocyanobenzonitrile;2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-6-carbazol-9-yl-4-(3,6-dimethylcarbazol-9-yl)-5-isocyano-3-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]benzonitrile;2,3,4-tri(carbazol-9-yl)-5-isocyano-6-(1,2,3,4,5,6,7,8-octafluorocarbazol-9-yl)benzonitrile?
The InChIKey is MDQZRMRVZSCOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H35F9N6.C62H44N6O6.C56H24F8N6/c1-32-13-19-49-40(25-32)41-26-33(2)14-20-50(41)76(49)58-55(73-4)56(74-47-11-7-5-9-38(47)39-10-6-8-12-48(39)74)46(31-72)57(59(58)77-51-21-15-34(3)27-42(51)43-28-35(60(63,64)65)18-24-54(43)77)75-52-22-16-36(61(66,67)68)29-44(52)45-30-37(62(69,70)71)17-23-53(45)75;1-64-58-59(65-50-11-7-5-9-41(50)42-10-6-8-12-51(42)65)49(31-63)60(66-55-22-16-39(73-3)29-47(55)48-30-40(74-4)17-23-56(48)66)62(68-54-21-15-37(34-71)27-45(54)46-28-38(72-2)18-24-57(46)68)61(58)67-52-19-13-35(32-69)25-43(52)44-26-36(33-70)14-20-53(44)67;1-66-50-51(70-53-40(42(57)44(59)46(61)48(53)63)41-43(58)45(60)47(62)49(64)54(41)70)33(26-65)52(67-34-20-8-2-14-27(34)28-15-3-9-21-35(28)67)56(69-38-24-12-6-18-31(38)32-19-7-13-25-39(32)69)55(50)68-36-22-10-4-16-29(36)30-17-5-11-23-37(30)68/h5-30H,1-3H3;5-30,69-71H,32-34H2,2-4H3;2-25H.
What are the key properties of 4-[3,6-bis(hydroxymethyl)carbazol-9-yl]-2-carbazol-9-yl-6-(3,6-dimethoxycarbazol-9-yl)-5-[3-(hydroxymethyl)-6-methoxycarbazol-9-yl]-3-isocyanobenzonitrile;2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-6-carbazol-9-yl-4-(3,6-dimethylcarbazol-9-yl)-5-isocyano-3-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]benzonitrile;2,3,4-tri(carbazol-9-yl)-5-isocyano-6-(1,2,3,4,5,6,7,8-octafluorocarbazol-9-yl)benzonitrile?
4-[3,6-bis(hydroxymethyl)carbazol-9-yl]-2-carbazol-9-yl-6-(3,6-dimethoxycarbazol-9-yl)-5-[3-(hydroxymethyl)-6-methoxycarbazol-9-yl]-3-isocyanobenzonitrile;2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-6-carbazol-9-yl-4-(3,6-dimethylcarbazol-9-yl)-5-isocyano-3-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]benzonitrile;2,3,4-tri(carbazol-9-yl)-5-isocyano-6-(1,2,3,4,5,6,7,8-octafluorocarbazol-9-yl)benzonitrile has a molecular weight of 2936.89 g/mol, XLogP of 47.09, 18 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,6-bis(hydroxymethyl)carbazol-9-yl]-2-carbazol-9-yl-6-(3,6-dimethoxycarbazol-9-yl)-5-[3-(hydroxymethyl)-6-methoxycarbazol-9-yl]-3-isocyanobenzonitrile;2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-6-carbazol-9-yl-4-(3,6-dimethylcarbazol-9-yl)-5-isocyano-3-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]benzonitrile;2,3,4-tri(carbazol-9-yl)-5-isocyano-6-(1,2,3,4,5,6,7,8-octafluorocarbazol-9-yl)benzonitrile is sourced from PubChem (CID 159536579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).