2-[2,3-bis(7-phenylindolo[2,3-b]carbazol-5-yl)-4-pyridinyl]benzonitrile;9-[5-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(3-isocyanophenyl)-3-pyridinyl]-2,7-bis(2-phenyl-3-pyridinyl)carbazole;9-[5-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(3-isocyanophenyl)-3-pyridinyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole

C220H136N22 — CID 164986770

IUPAC2-[2,3-bis(7-phenylindolo[2,3-b]carbazol-5-yl)-4-pyridinyl]benzonitrile;9-[5-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(3-isocyanophenyl)-3-pyridinyl]-2,7-bis(2-phenyl-3-pyridinyl)carbazole;9-[5-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(3-isocyanophenyl)-3-pyridinyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole
SMILESN#Cc1ccccc1-c1ccnc(-n2c3ccccc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)c1-n1c2ccccc2c2cc3c4ccccc4n(-c4ccccc4)c3cc21.[C-]#[N+]c1cccc(-c2c(-n3c4cc(-c5cccnc5-c5ccccc5)ccc4c4ccc(-c5cccnc5-c5ccccc5)cc43)cncc2-n2c3cc(-c4cccnc4-c4ccccc4)ccc3c3ccc(-c4cccnc4-c4ccccc4)cc32)c1.[C-]#[N+]c1cccc(-c2c(-n3c4ccc(-c5cccnc5-c5ccccc5)cc4c4cc(-c5cccnc5-c5ccccc5)ccc43)cncc2-n2c3ccc(-c4cccnc4-c4ccccc4)cc3c3cc(-c4cccnc4-c4ccccc4)ccc32)c1
InChIInChI=1S/2C80H50N8.C60H36N6/c1-81-61-28-14-27-60(45-61)76-74(87-70-37-33-56(62-29-15-41-83-77(62)52-19-6-2-7-20-52)46-66(70)67-47-57(34-38-71(67)87)63-30-16-42-84-78(63)53-21-8-3-9-22-53)50-82-51-75(76)88-72-39-35-58(64-31-17-43-85-79(64)54-23-10-4-11-24-54)48-68(72)69-49-59(36-40-73(69)88)65-32-18-44-86-80(65)55-25-12-5-13-26-55;1-81-61-28-14-27-60(45-61)76-74(87-70-46-56(62-29-15-41-83-77(62)52-19-6-2-7-20-52)33-37-66(70)67-38-34-57(47-71(67)87)63-30-16-42-84-78(63)53-21-8-3-9-22-53)50-82-51-75(76)88-72-48-58(64-31-17-43-85-79(64)54-23-10-4-11-24-54)35-39-68(72)69-40-36-59(49-73(69)88)65-32-18-44-86-80(65)55-25-12-5-13-26-55;61-37-38-17-7-8-22-41(38)46-31-32-62-60(66-54-30-16-12-26-45(54)50-34-48-43-24-10-14-28-52(43)64(56(48)36-58(50)66)40-20-5-2-6-21-40)59(46)65-53-29-15-11-25-44(53)49-33-47-42-23-9-13-27-51(42)63(55(47)35-57(49)65)39-18-3-1-4-19-39/h2*2-51H;1-36H
InChIKeyGGUVAZBFYRBOGR-UHFFFAOYSA-N
MW3087.66 g/mol
LogP55.83
Rot. Bonds27

About 2-[2,3-bis(7-phenylindolo[2,3-b]carbazol-5-yl)-4-pyridinyl]benzonitrile;9-[5-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(3-isocyanophenyl)-3-pyridinyl]-2,7-bis(2-phenyl-3-pyridinyl)carbazole;9-[5-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(3-isocyanophenyl)-3-pyridinyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole

2-[2,3-bis(7-phenylindolo[2,3-b]carbazol-5-yl)-4-pyridinyl]benzonitrile;9-[5-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(3-isocyanophenyl)-3-pyridinyl]-2,7-bis(2-phenyl-3-pyridinyl)carbazole;9-[5-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(3-isocyanophenyl)-3-pyridinyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole (PubChem CID 164986770) has the molecular formula C220H136N22 and a molecular weight of 3087.66 g/mol. Its IUPAC name is 2-[2,3-bis(7-phenylindolo[2,3-b]carbazol-5-yl)-4-pyridinyl]benzonitrile;9-[5-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(3-isocyanophenyl)-3-pyridinyl]-2,7-bis(2-phenyl-3-pyridinyl)carbazole;9-[5-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(3-isocyanophenyl)-3-pyridinyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole.

Molecular Properties

Compound Name2-[2,3-bis(7-phenylindolo[2,3-b]carbazol-5-yl)-4-pyridinyl]benzonitrile;9-[5-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(3-isocyanophenyl)-3-pyridinyl]-2,7-bis(2-phenyl-3-pyridinyl)carbazole;9-[5-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(3-isocyanophenyl)-3-pyridinyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole
PubChem CID164986770
Molecular FormulaC220H136N22
Molecular Weight3087.66 g/mol
Exact Mass3085.13
IUPAC Name2-[2,3-bis(7-phenylindolo[2,3-b]carbazol-5-yl)-4-pyridinyl]benzonitrile;9-[5-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(3-isocyanophenyl)-3-pyridinyl]-2,7-bis(2-phenyl-3-pyridinyl)carbazole;9-[5-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(3-isocyanophenyl)-3-pyridinyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole
SMILESN#Cc1ccccc1-c1ccnc(-n2c3ccccc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)c1-n1c2ccccc2c2cc3c4ccccc4n(-c4ccccc4)c3cc21.[C-]#[N+]c1cccc(-c2c(-n3c4cc(-c5cccnc5-c5ccccc5)ccc4c4ccc(-c5cccnc5-c5ccccc5)cc43)cncc2-n2c3cc(-c4cccnc4-c4ccccc4)ccc3c3ccc(-c4cccnc4-c4ccccc4)cc32)c1.[C-]#[N+]c1cccc(-c2c(-n3c4ccc(-c5cccnc5-c5ccccc5)cc4c4cc(-c5cccnc5-c5ccccc5)ccc43)cncc2-n2c3ccc(-c4cccnc4-c4ccccc4)cc3c3cc(-c4cccnc4-c4ccccc4)ccc32)c1
InChIInChI=1S/2C80H50N8.C60H36N6/c1-81-61-28-14-27-60(45-61)76-74(87-70-37-33-56(62-29-15-41-83-77(62)52-19-6-2-7-20-52)46-66(70)67-47-57(34-38-71(67)87)63-30-16-42-84-78(63)53-21-8-3-9-22-53)50-82-51-75(76)88-72-39-35-58(64-31-17-43-85-79(64)54-23-10-4-11-24-54)48-68(72)69-49-59(36-40-73(69)88)65-32-18-44-86-80(65)55-25-12-5-13-26-55;1-81-61-28-14-27-60(45-61)76-74(87-70-46-56(62-29-15-41-83-77(62)52-19-6-2-7-20-52)33-37-66(70)67-38-34-57(47-71(67)87)63-30-16-42-84-78(63)53-21-8-3-9-22-53)50-82-51-75(76)88-72-48-58(64-31-17-43-85-79(64)54-23-10-4-11-24-54)35-39-68(72)69-40-36-59(49-73(69)88)65-32-18-44-86-80(65)55-25-12-5-13-26-55;61-37-38-17-7-8-22-41(38)46-31-32-62-60(66-54-30-16-12-26-45(54)50-34-48-43-24-10-14-28-52(43)64(56(48)36-58(50)66)40-20-5-2-6-21-40)59(46)65-53-29-15-11-25-44(53)49-33-47-42-23-9-13-27-51(42)63(55(47)35-57(49)65)39-18-3-1-4-19-39/h2*2-51H;1-36H
InChIKeyGGUVAZBFYRBOGR-UHFFFAOYSA-N
XLogP55.83
TPSA213.74 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds27
Heavy Atoms242
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003087.66
LogP ≤ 555.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 2-[2,3-bis(7-phenylindolo[2,3-b]carbazol-5-yl)-4-pyridinyl]benzonitrile;9-[5-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(3-isocyanophenyl)-3-pyridinyl]-2,7-bis(2-phenyl-3-pyridinyl)carbazole;9-[5-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(3-isocyanophenyl)-3-pyridinyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole with MolForge

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Related Compounds

2-[2,3-bis(7-phenylindolo[2,3-b]carbazol-5-yl)-4-pyridinyl]benzonitrile
CID 146544389
4-[3,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146544200
4-[3,5-bis[2,7-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;4-[3,5-bis[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;4-[3,5-bis[2-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 165071052
3-[3,5-bis[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146544391
4-(3-isocyanophenyl)-2,5-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile
CID 155646815
9-[5-(2,7-diphenylcarbazol-9-yl)-4-(3-isocyanophenyl)-3-pyridinyl]-2,7-diphenylcarbazole
CID 153486509
9-[4-(2-cyanophenyl)-5-[2-(4-isocyanophenyl)carbazol-9-yl]-3-pyridinyl]carbazole-2-carbonitrile
CID 153486506
3-[9-[4-[5-[3-cyano-2-[3-(7-phenylindolo[2,3-b]carbazol-5-yl)-2-pyridinyl]phenyl]indolo[2,3-b]carbazol-7-yl]phenyl]-12-phenylindolo[3,2-c]carbazol-5-yl]-2-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)-2-pyridinyl]benzonitrile
CID 146409640
3-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-2-yl)phenyl]carbazol-3-yl]-5-isocyanobenzonitrile
CID 169045265
5-isocyano-3-methyl-2-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile
CID 159576934
3-[3-(2-cyanophenyl)carbazol-9-yl]-2-[3-[3-(2-cyanophenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile
CID 142495063
2,5-bis[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile;9-[4-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-isocyano-5-(2-isocyano-6-methylphenyl)phenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole;9-[2-isocyano-5-(2-isocyano-6-methylphenyl)-4-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]phenyl]-3-(2-phenyl-3-pyridinyl)carbazole
CID 161477407

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-bis(7-phenylindolo[2,3-b]carbazol-5-yl)-4-pyridinyl]benzonitrile;9-[5-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(3-isocyanophenyl)-3-pyridinyl]-2,7-bis(2-phenyl-3-pyridinyl)carbazole;9-[5-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(3-isocyanophenyl)-3-pyridinyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole?
The IUPAC name of 2-[2,3-bis(7-phenylindolo[2,3-b]carbazol-5-yl)-4-pyridinyl]benzonitrile;9-[5-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(3-isocyanophenyl)-3-pyridinyl]-2,7-bis(2-phenyl-3-pyridinyl)carbazole;9-[5-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(3-isocyanophenyl)-3-pyridinyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole (CID 164986770) is 2-[2,3-bis(7-phenylindolo[2,3-b]carbazol-5-yl)-4-pyridinyl]benzonitrile;9-[5-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(3-isocyanophenyl)-3-pyridinyl]-2,7-bis(2-phenyl-3-pyridinyl)carbazole;9-[5-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(3-isocyanophenyl)-3-pyridinyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole.
What is the SMILES notation for 2-[2,3-bis(7-phenylindolo[2,3-b]carbazol-5-yl)-4-pyridinyl]benzonitrile;9-[5-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(3-isocyanophenyl)-3-pyridinyl]-2,7-bis(2-phenyl-3-pyridinyl)carbazole;9-[5-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(3-isocyanophenyl)-3-pyridinyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole?
The canonical SMILES for 2-[2,3-bis(7-phenylindolo[2,3-b]carbazol-5-yl)-4-pyridinyl]benzonitrile;9-[5-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(3-isocyanophenyl)-3-pyridinyl]-2,7-bis(2-phenyl-3-pyridinyl)carbazole;9-[5-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(3-isocyanophenyl)-3-pyridinyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole is N#Cc1ccccc1-c1ccnc(-n2c3ccccc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)c1-n1c2ccccc2c2cc3c4ccccc4n(-c4ccccc4)c3cc21.[C-]#[N+]c1cccc(-c2c(-n3c4cc(-c5cccnc5-c5ccccc5)ccc4c4ccc(-c5cccnc5-c5ccccc5)cc43)cncc2-n2c3cc(-c4cccnc4-c4ccccc4)ccc3c3ccc(-c4cccnc4-c4ccccc4)cc32)c1.[C-]#[N+]c1cccc(-c2c(-n3c4ccc(-c5cccnc5-c5ccccc5)cc4c4cc(-c5cccnc5-c5ccccc5)ccc43)cncc2-n2c3ccc(-c4cccnc4-c4ccccc4)cc3c3cc(-c4cccnc4-c4ccccc4)ccc32)c1.
What is the InChIKey of 2-[2,3-bis(7-phenylindolo[2,3-b]carbazol-5-yl)-4-pyridinyl]benzonitrile;9-[5-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(3-isocyanophenyl)-3-pyridinyl]-2,7-bis(2-phenyl-3-pyridinyl)carbazole;9-[5-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(3-isocyanophenyl)-3-pyridinyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole?
The InChIKey is GGUVAZBFYRBOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C80H50N8.C60H36N6/c1-81-61-28-14-27-60(45-61)76-74(87-70-37-33-56(62-29-15-41-83-77(62)52-19-6-2-7-20-52)46-66(70)67-47-57(34-38-71(67)87)63-30-16-42-84-78(63)53-21-8-3-9-22-53)50-82-51-75(76)88-72-39-35-58(64-31-17-43-85-79(64)54-23-10-4-11-24-54)48-68(72)69-49-59(36-40-73(69)88)65-32-18-44-86-80(65)55-25-12-5-13-26-55;1-81-61-28-14-27-60(45-61)76-74(87-70-46-56(62-29-15-41-83-77(62)52-19-6-2-7-20-52)33-37-66(70)67-38-34-57(47-71(67)87)63-30-16-42-84-78(63)53-21-8-3-9-22-53)50-82-51-75(76)88-72-48-58(64-31-17-43-85-79(64)54-23-10-4-11-24-54)35-39-68(72)69-40-36-59(49-73(69)88)65-32-18-44-86-80(65)55-25-12-5-13-26-55;61-37-38-17-7-8-22-41(38)46-31-32-62-60(66-54-30-16-12-26-45(54)50-34-48-43-24-10-14-28-52(43)64(56(48)36-58(50)66)40-20-5-2-6-21-40)59(46)65-53-29-15-11-25-44(53)49-33-47-42-23-9-13-27-51(42)63(55(47)35-57(49)65)39-18-3-1-4-19-39/h2*2-51H;1-36H.
What are the key properties of 2-[2,3-bis(7-phenylindolo[2,3-b]carbazol-5-yl)-4-pyridinyl]benzonitrile;9-[5-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(3-isocyanophenyl)-3-pyridinyl]-2,7-bis(2-phenyl-3-pyridinyl)carbazole;9-[5-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(3-isocyanophenyl)-3-pyridinyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole?
2-[2,3-bis(7-phenylindolo[2,3-b]carbazol-5-yl)-4-pyridinyl]benzonitrile;9-[5-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(3-isocyanophenyl)-3-pyridinyl]-2,7-bis(2-phenyl-3-pyridinyl)carbazole;9-[5-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(3-isocyanophenyl)-3-pyridinyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole has a molecular weight of 3087.66 g/mol, XLogP of 55.83, 27 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-bis(7-phenylindolo[2,3-b]carbazol-5-yl)-4-pyridinyl]benzonitrile;9-[5-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(3-isocyanophenyl)-3-pyridinyl]-2,7-bis(2-phenyl-3-pyridinyl)carbazole;9-[5-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(3-isocyanophenyl)-3-pyridinyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole is sourced from PubChem (CID 164986770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).