2,5-bis(10-methoxybenzo[c]carbazol-7-yl)benzene-1,4-dicarbonitrile

C42H26N4O2 — CID 121328799

IUPAC2,5-bis(10-methoxybenzo[c]carbazol-7-yl)benzene-1,4-dicarbonitrile
SMILESCOc1ccc2c(c1)c1c3ccccc3ccc1n2-c1cc(C#N)c(-n2c3ccc(OC)cc3c3c4ccccc4ccc32)cc1C#N
InChIInChI=1S/C42H26N4O2/c1-47-29-13-17-35-33(21-29)41-31-9-5-3-7-25(31)11-15-37(41)45(35)39-19-28(24-44)40(20-27(39)23-43)46-36-18-14-30(48-2)22-34(36)42-32-10-6-4-8-26(32)12-16-38(42)46/h3-22H,1-2H3
InChIKeyWEQPAGNWYDRVCK-UHFFFAOYSA-N
MW618.70 g/mol
LogP9.95
Rot. Bonds4

About 2,5-bis(10-methoxybenzo[c]carbazol-7-yl)benzene-1,4-dicarbonitrile

2,5-bis(10-methoxybenzo[c]carbazol-7-yl)benzene-1,4-dicarbonitrile (PubChem CID 121328799) has the molecular formula C42H26N4O2 and a molecular weight of 618.70 g/mol. Its IUPAC name is 2,5-bis(10-methoxybenzo[c]carbazol-7-yl)benzene-1,4-dicarbonitrile.

Molecular Properties

Compound Name2,5-bis(10-methoxybenzo[c]carbazol-7-yl)benzene-1,4-dicarbonitrile
PubChem CID121328799
Molecular FormulaC42H26N4O2
Molecular Weight618.70 g/mol
Exact Mass618.21
IUPAC Name2,5-bis(10-methoxybenzo[c]carbazol-7-yl)benzene-1,4-dicarbonitrile
SMILESCOc1ccc2c(c1)c1c3ccccc3ccc1n2-c1cc(C#N)c(-n2c3ccc(OC)cc3c3c4ccccc4ccc32)cc1C#N
InChIInChI=1S/C42H26N4O2/c1-47-29-13-17-35-33(21-29)41-31-9-5-3-7-25(31)11-15-37(41)45(35)39-19-28(24-44)40(20-27(39)23-43)46-36-18-14-30(48-2)22-34(36)42-32-10-6-4-8-26(32)12-16-38(42)46/h3-22H,1-2H3
InChIKeyWEQPAGNWYDRVCK-UHFFFAOYSA-N
XLogP9.95
TPSA75.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.70
LogP ≤ 59.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,5-bis(10-methoxybenzo[c]carbazol-7-yl)benzene-1,4-dicarbonitrile 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

4-benzo[c]carbazol-7-yl-6-(3-carbazol-9-ylcarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 121329310
4-carbazol-9-yl-6-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzene-1,3-dicarbonitrile
CID 121307484
2,5-bis(24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaen-9-yl)benzene-1,4-dicarbonitrile
CID 121328528
2-benzo[c]carbazol-7-yl-5-[10-[4-(2-phenylpropan-2-yl)phenyl]benzo[c]carbazol-7-yl]benzene-1,4-dicarbonitrile
CID 155417153
2,5-bis(14-thia-9-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-9-yl)benzene-1,4-dicarbonitrile
CID 121328788
2-benzo[c]carbazol-7-yl-5-([1]benzofuro[2,3-b]carbazol-7-yl)benzene-1,4-dicarbonitrile
CID 121328536
3-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)benzene-1,2-dicarbonitrile
CID 121329042
4-isocyano-2,5-bis(12-phenyl-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-22-yl)benzonitrile
CID 153462138
2-benzo[c]carbazol-7-yl-3-[3-[7-(5-benzo[c]carbazol-7-yl-2,4-dicyanophenyl)benzo[c]carbazol-10-yl]benzo[c]carbazol-7-yl]benzene-1,4-dicarbonitrile
CID 155449841
2-[3-methoxy-5-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,4-dicarbonitrile
CID 122418295
2-[2-cyano-4-(3-methoxycarbazol-9-yl)phenyl]-5-(3-methoxycarbazol-9-yl)benzonitrile
CID 138735973
2,4-bis(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-5-isocyanobenzonitrile
CID 153462249

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(10-methoxybenzo[c]carbazol-7-yl)benzene-1,4-dicarbonitrile?
The IUPAC name of 2,5-bis(10-methoxybenzo[c]carbazol-7-yl)benzene-1,4-dicarbonitrile (CID 121328799) is 2,5-bis(10-methoxybenzo[c]carbazol-7-yl)benzene-1,4-dicarbonitrile.
What is the SMILES notation for 2,5-bis(10-methoxybenzo[c]carbazol-7-yl)benzene-1,4-dicarbonitrile?
The canonical SMILES for 2,5-bis(10-methoxybenzo[c]carbazol-7-yl)benzene-1,4-dicarbonitrile is COc1ccc2c(c1)c1c3ccccc3ccc1n2-c1cc(C#N)c(-n2c3ccc(OC)cc3c3c4ccccc4ccc32)cc1C#N.
What is the InChIKey of 2,5-bis(10-methoxybenzo[c]carbazol-7-yl)benzene-1,4-dicarbonitrile?
The InChIKey is WEQPAGNWYDRVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N4O2/c1-47-29-13-17-35-33(21-29)41-31-9-5-3-7-25(31)11-15-37(41)45(35)39-19-28(24-44)40(20-27(39)23-43)46-36-18-14-30(48-2)22-34(36)42-32-10-6-4-8-26(32)12-16-38(42)46/h3-22H,1-2H3.
What are the key properties of 2,5-bis(10-methoxybenzo[c]carbazol-7-yl)benzene-1,4-dicarbonitrile?
2,5-bis(10-methoxybenzo[c]carbazol-7-yl)benzene-1,4-dicarbonitrile has a molecular weight of 618.70 g/mol, XLogP of 9.95, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(10-methoxybenzo[c]carbazol-7-yl)benzene-1,4-dicarbonitrile is sourced from PubChem (CID 121328799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).