2-[3-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)carbazol-9-yl]-5-isocyanobenzonitrile;3-[5-(6,9-diphenylcarbazol-3-yl)-3-phenylcarbazol-9-yl]benzene-1,2-dicarbonitrile;2-[3-(6,9-diphenylcarbazol-2-yl)-6-phenylcarbazol-9-yl]-3-isocyanobenzonitrile;2-[5-(6,9-diphenylcarbazol-3-yl)-3-phenylcarbazol-9-yl]-3-isocyanobenzonitrile;3-[5-(6,9-diphenylcarbazol-3-yl)-3-phenylcarbazol-9-yl]-5-isocyanobenzonitrile

C250H149N21 — CID 161101793

IUPAC2-[3-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)carbazol-9-yl]-5-isocyanobenzonitrile;3-[5-(6,9-diphenylcarbazol-3-yl)-3-phenylcarbazol-9-yl]benzene-1,2-dicarbonitrile;2-[3-(6,9-diphenylcarbazol-2-yl)-6-phenylcarbazol-9-yl]-3-isocyanobenzonitrile;2-[5-(6,9-diphenylcarbazol-3-yl)-3-phenylcarbazol-9-yl]-3-isocyanobenzonitrile;3-[5-(6,9-diphenylcarbazol-3-yl)-3-phenylcarbazol-9-yl]-5-isocyanobenzonitrile
SMILESN#Cc1cccc(-n2c3ccc(-c4ccccc4)cc3c3c(-c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4ccccc4)cccc32)c1C#N.[C-]#[N+]c1cc(C#N)cc(-n2c3ccc(-c4ccccc4)cc3c3c(-c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4ccccc4)cccc32)c1.[C-]#[N+]c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-n6c7ccccc7c7ccccc76)ccc4n5-c4ccccc4)ccc32)c(C#N)c1.[C-]#[N+]c1cccc(C#N)c1-n1c2ccc(-c3ccccc3)cc2c2c(-c3ccc4c(c3)c3cc(-c5ccccc5)ccc3n4-c3ccccc3)cccc21.[C-]#[N+]c1cccc(C#N)c1-n1c2ccc(-c3ccccc3)cc2c2cc(-c3ccc4c5cc(-c6ccccc6)ccc5n(-c5ccccc5)c4c3)ccc21
InChIInChI=1S/C50H29N5.4C50H30N4/c1-52-35-21-25-44(34(27-35)31-51)55-47-18-10-7-15-40(47)41-28-32(20-24-50(41)55)33-19-23-48-42(29-33)43-30-37(22-26-49(43)53(48)36-11-3-2-4-12-36)54-45-16-8-5-13-38(45)39-14-6-9-17-46(39)54;1-52-44-21-11-17-38(32-51)50(44)54-47-27-24-36(34-15-7-3-8-16-34)30-43(47)49-40(20-12-22-48(49)54)37-25-28-46-42(31-37)41-29-35(33-13-5-2-6-14-33)23-26-45(41)53(46)39-18-9-4-10-19-39;1-52-45-19-11-16-39(32-51)50(45)54-47-26-22-36(34-14-7-3-8-15-34)29-43(47)44-30-37(23-27-48(44)54)38-20-24-41-42-28-35(33-12-5-2-6-13-33)21-25-46(42)53(49(41)31-38)40-17-9-4-10-18-40;1-52-39-26-33(32-51)27-41(31-39)54-48-24-21-37(35-14-7-3-8-15-35)29-45(48)50-42(18-11-19-49(50)54)38-22-25-47-44(30-38)43-28-36(34-12-5-2-6-13-34)20-23-46(43)53(47)40-16-9-4-10-17-40;51-31-38-16-10-20-45(44(38)32-52)54-48-26-23-36(34-14-6-2-7-15-34)29-43(48)50-40(19-11-21-49(50)54)37-24-27-47-42(30-37)41-28-35(33-12-4-1-5-13-33)22-25-46(41)53(47)39-17-8-3-9-18-39/h2-30H;3*2-31H;1-30H
InChIKeyUINLBWMBWKLLBN-UHFFFAOYSA-N
MW3447.09 g/mol
LogP65.61
Rot. Bonds24

About 2-[3-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)carbazol-9-yl]-5-isocyanobenzonitrile;3-[5-(6,9-diphenylcarbazol-3-yl)-3-phenylcarbazol-9-yl]benzene-1,2-dicarbonitrile;2-[3-(6,9-diphenylcarbazol-2-yl)-6-phenylcarbazol-9-yl]-3-isocyanobenzonitrile;2-[5-(6,9-diphenylcarbazol-3-yl)-3-phenylcarbazol-9-yl]-3-isocyanobenzonitrile;3-[5-(6,9-diphenylcarbazol-3-yl)-3-phenylcarbazol-9-yl]-5-isocyanobenzonitrile

2-[3-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)carbazol-9-yl]-5-isocyanobenzonitrile;3-[5-(6,9-diphenylcarbazol-3-yl)-3-phenylcarbazol-9-yl]benzene-1,2-dicarbonitrile;2-[3-(6,9-diphenylcarbazol-2-yl)-6-phenylcarbazol-9-yl]-3-isocyanobenzonitrile;2-[5-(6,9-diphenylcarbazol-3-yl)-3-phenylcarbazol-9-yl]-3-isocyanobenzonitrile;3-[5-(6,9-diphenylcarbazol-3-yl)-3-phenylcarbazol-9-yl]-5-isocyanobenzonitrile (PubChem CID 161101793) has the molecular formula C250H149N21 and a molecular weight of 3447.09 g/mol. Its IUPAC name is 2-[3-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)carbazol-9-yl]-5-isocyanobenzonitrile;3-[5-(6,9-diphenylcarbazol-3-yl)-3-phenylcarbazol-9-yl]benzene-1,2-dicarbonitrile;2-[3-(6,9-diphenylcarbazol-2-yl)-6-phenylcarbazol-9-yl]-3-isocyanobenzonitrile;2-[5-(6,9-diphenylcarbazol-3-yl)-3-phenylcarbazol-9-yl]-3-isocyanobenzonitrile;3-[5-(6,9-diphenylcarbazol-3-yl)-3-phenylcarbazol-9-yl]-5-isocyanobenzonitrile.

Molecular Properties

Compound Name2-[3-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)carbazol-9-yl]-5-isocyanobenzonitrile;3-[5-(6,9-diphenylcarbazol-3-yl)-3-phenylcarbazol-9-yl]benzene-1,2-dicarbonitrile;2-[3-(6,9-diphenylcarbazol-2-yl)-6-phenylcarbazol-9-yl]-3-isocyanobenzonitrile;2-[5-(6,9-diphenylcarbazol-3-yl)-3-phenylcarbazol-9-yl]-3-isocyanobenzonitrile;3-[5-(6,9-diphenylcarbazol-3-yl)-3-phenylcarbazol-9-yl]-5-isocyanobenzonitrile
PubChem CID161101793
Molecular FormulaC250H149N21
Molecular Weight3447.09 g/mol
Exact Mass3444.23
IUPAC Name2-[3-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)carbazol-9-yl]-5-isocyanobenzonitrile;3-[5-(6,9-diphenylcarbazol-3-yl)-3-phenylcarbazol-9-yl]benzene-1,2-dicarbonitrile;2-[3-(6,9-diphenylcarbazol-2-yl)-6-phenylcarbazol-9-yl]-3-isocyanobenzonitrile;2-[5-(6,9-diphenylcarbazol-3-yl)-3-phenylcarbazol-9-yl]-3-isocyanobenzonitrile;3-[5-(6,9-diphenylcarbazol-3-yl)-3-phenylcarbazol-9-yl]-5-isocyanobenzonitrile
SMILESN#Cc1cccc(-n2c3ccc(-c4ccccc4)cc3c3c(-c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4ccccc4)cccc32)c1C#N.[C-]#[N+]c1cc(C#N)cc(-n2c3ccc(-c4ccccc4)cc3c3c(-c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4ccccc4)cccc32)c1.[C-]#[N+]c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-n6c7ccccc7c7ccccc76)ccc4n5-c4ccccc4)ccc32)c(C#N)c1.[C-]#[N+]c1cccc(C#N)c1-n1c2ccc(-c3ccccc3)cc2c2c(-c3ccc4c(c3)c3cc(-c5ccccc5)ccc3n4-c3ccccc3)cccc21.[C-]#[N+]c1cccc(C#N)c1-n1c2ccc(-c3ccccc3)cc2c2cc(-c3ccc4c5cc(-c6ccccc6)ccc5n(-c5ccccc5)c4c3)ccc21
InChIInChI=1S/C50H29N5.4C50H30N4/c1-52-35-21-25-44(34(27-35)31-51)55-47-18-10-7-15-40(47)41-28-32(20-24-50(41)55)33-19-23-48-42(29-33)43-30-37(22-26-49(43)53(48)36-11-3-2-4-12-36)54-45-16-8-5-13-38(45)39-14-6-9-17-46(39)54;1-52-44-21-11-17-38(32-51)50(44)54-47-27-24-36(34-15-7-3-8-16-34)30-43(47)49-40(20-12-22-48(49)54)37-25-28-46-42(31-37)41-29-35(33-13-5-2-6-14-33)23-26-45(41)53(46)39-18-9-4-10-19-39;1-52-45-19-11-16-39(32-51)50(45)54-47-26-22-36(34-14-7-3-8-15-34)29-43(47)44-30-37(23-27-48(44)54)38-20-24-41-42-28-35(33-12-5-2-6-13-33)21-25-46(42)53(49(41)31-38)40-17-9-4-10-18-40;1-52-39-26-33(32-51)27-41(31-39)54-48-24-21-37(35-14-7-3-8-15-35)29-45(48)50-42(18-11-19-49(50)54)38-22-25-47-44(30-38)43-28-36(34-12-5-2-6-13-34)20-23-46(43)53(47)40-16-9-4-10-17-40;51-31-38-16-10-20-45(44(38)32-52)54-48-26-23-36(34-14-6-2-7-15-34)29-43(48)50-40(19-11-21-49(50)54)37-24-27-47-42(30-37)41-28-35(33-12-4-1-5-13-33)22-25-46(41)53(47)39-17-8-3-9-18-39/h2-30H;3*2-31H;1-30H
InChIKeyUINLBWMBWKLLBN-UHFFFAOYSA-N
XLogP65.61
TPSA214.41 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds24
Heavy Atoms271
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003447.09
LogP ≤ 565.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 2-[3-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)carbazol-9-yl]-5-isocyanobenzonitrile;3-[5-(6,9-diphenylcarbazol-3-yl)-3-phenylcarbazol-9-yl]benzene-1,2-dicarbonitrile;2-[3-(6,9-diphenylcarbazol-2-yl)-6-phenylcarbazol-9-yl]-3-isocyanobenzonitrile;2-[5-(6,9-diphenylcarbazol-3-yl)-3-phenylcarbazol-9-yl]-3-isocyanobenzonitrile;3-[5-(6,9-diphenylcarbazol-3-yl)-3-phenylcarbazol-9-yl]-5-isocyanobenzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)carbazol-9-yl]-5-isocyanobenzonitrile;3-[5-(6,9-diphenylcarbazol-3-yl)-3-phenylcarbazol-9-yl]benzene-1,2-dicarbonitrile;2-[3-(6,9-diphenylcarbazol-2-yl)-6-phenylcarbazol-9-yl]-3-isocyanobenzonitrile;2-[5-(6,9-diphenylcarbazol-3-yl)-3-phenylcarbazol-9-yl]-3-isocyanobenzonitrile;3-[5-(6,9-diphenylcarbazol-3-yl)-3-phenylcarbazol-9-yl]-5-isocyanobenzonitrile?
The IUPAC name of 2-[3-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)carbazol-9-yl]-5-isocyanobenzonitrile;3-[5-(6,9-diphenylcarbazol-3-yl)-3-phenylcarbazol-9-yl]benzene-1,2-dicarbonitrile;2-[3-(6,9-diphenylcarbazol-2-yl)-6-phenylcarbazol-9-yl]-3-isocyanobenzonitrile;2-[5-(6,9-diphenylcarbazol-3-yl)-3-phenylcarbazol-9-yl]-3-isocyanobenzonitrile;3-[5-(6,9-diphenylcarbazol-3-yl)-3-phenylcarbazol-9-yl]-5-isocyanobenzonitrile (CID 161101793) is 2-[3-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)carbazol-9-yl]-5-isocyanobenzonitrile;3-[5-(6,9-diphenylcarbazol-3-yl)-3-phenylcarbazol-9-yl]benzene-1,2-dicarbonitrile;2-[3-(6,9-diphenylcarbazol-2-yl)-6-phenylcarbazol-9-yl]-3-isocyanobenzonitrile;2-[5-(6,9-diphenylcarbazol-3-yl)-3-phenylcarbazol-9-yl]-3-isocyanobenzonitrile;3-[5-(6,9-diphenylcarbazol-3-yl)-3-phenylcarbazol-9-yl]-5-isocyanobenzonitrile.
What is the SMILES notation for 2-[3-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)carbazol-9-yl]-5-isocyanobenzonitrile;3-[5-(6,9-diphenylcarbazol-3-yl)-3-phenylcarbazol-9-yl]benzene-1,2-dicarbonitrile;2-[3-(6,9-diphenylcarbazol-2-yl)-6-phenylcarbazol-9-yl]-3-isocyanobenzonitrile;2-[5-(6,9-diphenylcarbazol-3-yl)-3-phenylcarbazol-9-yl]-3-isocyanobenzonitrile;3-[5-(6,9-diphenylcarbazol-3-yl)-3-phenylcarbazol-9-yl]-5-isocyanobenzonitrile?
The canonical SMILES for 2-[3-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)carbazol-9-yl]-5-isocyanobenzonitrile;3-[5-(6,9-diphenylcarbazol-3-yl)-3-phenylcarbazol-9-yl]benzene-1,2-dicarbonitrile;2-[3-(6,9-diphenylcarbazol-2-yl)-6-phenylcarbazol-9-yl]-3-isocyanobenzonitrile;2-[5-(6,9-diphenylcarbazol-3-yl)-3-phenylcarbazol-9-yl]-3-isocyanobenzonitrile;3-[5-(6,9-diphenylcarbazol-3-yl)-3-phenylcarbazol-9-yl]-5-isocyanobenzonitrile is N#Cc1cccc(-n2c3ccc(-c4ccccc4)cc3c3c(-c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4ccccc4)cccc32)c1C#N.[C-]#[N+]c1cc(C#N)cc(-n2c3ccc(-c4ccccc4)cc3c3c(-c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4ccccc4)cccc32)c1.[C-]#[N+]c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-n6c7ccccc7c7ccccc76)ccc4n5-c4ccccc4)ccc32)c(C#N)c1.[C-]#[N+]c1cccc(C#N)c1-n1c2ccc(-c3ccccc3)cc2c2c(-c3ccc4c(c3)c3cc(-c5ccccc5)ccc3n4-c3ccccc3)cccc21.[C-]#[N+]c1cccc(C#N)c1-n1c2ccc(-c3ccccc3)cc2c2cc(-c3ccc4c5cc(-c6ccccc6)ccc5n(-c5ccccc5)c4c3)ccc21.
What is the InChIKey of 2-[3-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)carbazol-9-yl]-5-isocyanobenzonitrile;3-[5-(6,9-diphenylcarbazol-3-yl)-3-phenylcarbazol-9-yl]benzene-1,2-dicarbonitrile;2-[3-(6,9-diphenylcarbazol-2-yl)-6-phenylcarbazol-9-yl]-3-isocyanobenzonitrile;2-[5-(6,9-diphenylcarbazol-3-yl)-3-phenylcarbazol-9-yl]-3-isocyanobenzonitrile;3-[5-(6,9-diphenylcarbazol-3-yl)-3-phenylcarbazol-9-yl]-5-isocyanobenzonitrile?
The InChIKey is UINLBWMBWKLLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H29N5.4C50H30N4/c1-52-35-21-25-44(34(27-35)31-51)55-47-18-10-7-15-40(47)41-28-32(20-24-50(41)55)33-19-23-48-42(29-33)43-30-37(22-26-49(43)53(48)36-11-3-2-4-12-36)54-45-16-8-5-13-38(45)39-14-6-9-17-46(39)54;1-52-44-21-11-17-38(32-51)50(44)54-47-27-24-36(34-15-7-3-8-16-34)30-43(47)49-40(20-12-22-48(49)54)37-25-28-46-42(31-37)41-29-35(33-13-5-2-6-14-33)23-26-45(41)53(46)39-18-9-4-10-19-39;1-52-45-19-11-16-39(32-51)50(45)54-47-26-22-36(34-14-7-3-8-15-34)29-43(47)44-30-37(23-27-48(44)54)38-20-24-41-42-28-35(33-12-5-2-6-13-33)21-25-46(42)53(49(41)31-38)40-17-9-4-10-18-40;1-52-39-26-33(32-51)27-41(31-39)54-48-24-21-37(35-14-7-3-8-15-35)29-45(48)50-42(18-11-19-49(50)54)38-22-25-47-44(30-38)43-28-36(34-12-5-2-6-13-34)20-23-46(43)53(47)40-16-9-4-10-17-40;51-31-38-16-10-20-45(44(38)32-52)54-48-26-23-36(34-14-6-2-7-15-34)29-43(48)50-40(19-11-21-49(50)54)37-24-27-47-42(30-37)41-28-35(33-12-4-1-5-13-33)22-25-46(41)53(47)39-17-8-3-9-18-39/h2-30H;3*2-31H;1-30H.
What are the key properties of 2-[3-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)carbazol-9-yl]-5-isocyanobenzonitrile;3-[5-(6,9-diphenylcarbazol-3-yl)-3-phenylcarbazol-9-yl]benzene-1,2-dicarbonitrile;2-[3-(6,9-diphenylcarbazol-2-yl)-6-phenylcarbazol-9-yl]-3-isocyanobenzonitrile;2-[5-(6,9-diphenylcarbazol-3-yl)-3-phenylcarbazol-9-yl]-3-isocyanobenzonitrile;3-[5-(6,9-diphenylcarbazol-3-yl)-3-phenylcarbazol-9-yl]-5-isocyanobenzonitrile?
2-[3-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)carbazol-9-yl]-5-isocyanobenzonitrile;3-[5-(6,9-diphenylcarbazol-3-yl)-3-phenylcarbazol-9-yl]benzene-1,2-dicarbonitrile;2-[3-(6,9-diphenylcarbazol-2-yl)-6-phenylcarbazol-9-yl]-3-isocyanobenzonitrile;2-[5-(6,9-diphenylcarbazol-3-yl)-3-phenylcarbazol-9-yl]-3-isocyanobenzonitrile;3-[5-(6,9-diphenylcarbazol-3-yl)-3-phenylcarbazol-9-yl]-5-isocyanobenzonitrile has a molecular weight of 3447.09 g/mol, XLogP of 65.61, 24 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)carbazol-9-yl]-5-isocyanobenzonitrile;3-[5-(6,9-diphenylcarbazol-3-yl)-3-phenylcarbazol-9-yl]benzene-1,2-dicarbonitrile;2-[3-(6,9-diphenylcarbazol-2-yl)-6-phenylcarbazol-9-yl]-3-isocyanobenzonitrile;2-[5-(6,9-diphenylcarbazol-3-yl)-3-phenylcarbazol-9-yl]-3-isocyanobenzonitrile;3-[5-(6,9-diphenylcarbazol-3-yl)-3-phenylcarbazol-9-yl]-5-isocyanobenzonitrile is sourced from PubChem (CID 161101793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).