2-benzo[a]carbazol-11-ylbenzonitrile;2-benzo[c]carbazol-7-ylbenzonitrile;ethane

C48H34N4 — CID 145009970

IUPAC2-benzo[a]carbazol-11-ylbenzonitrile;2-benzo[c]carbazol-7-ylbenzonitrile;ethane
SMILESCC.N#Cc1ccccc1-n1c2ccccc2c2c3ccccc3ccc21.N#Cc1ccccc1-n1c2ccccc2c2ccc3ccccc3c21
InChIInChI=1S/2C23H14N2.C2H6/c24-15-17-8-2-5-11-21(17)25-22-12-6-4-10-19(22)20-14-13-16-7-1-3-9-18(16)23(20)25;24-15-17-8-2-5-11-20(17)25-21-12-6-4-10-19(21)23-18-9-3-1-7-16(18)13-14-22(23)25;1-2/h2*1-14H;1-2H3
InChIKeyMZNNMCSTHDNWFI-UHFFFAOYSA-N
MW666.83 g/mol
LogP12.64
Rot. Bonds2

About 2-benzo[a]carbazol-11-ylbenzonitrile;2-benzo[c]carbazol-7-ylbenzonitrile;ethane

2-benzo[a]carbazol-11-ylbenzonitrile;2-benzo[c]carbazol-7-ylbenzonitrile;ethane (PubChem CID 145009970) has the molecular formula C48H34N4 and a molecular weight of 666.83 g/mol. Its IUPAC name is 2-benzo[a]carbazol-11-ylbenzonitrile;2-benzo[c]carbazol-7-ylbenzonitrile;ethane.

Molecular Properties

Compound Name2-benzo[a]carbazol-11-ylbenzonitrile;2-benzo[c]carbazol-7-ylbenzonitrile;ethane
PubChem CID145009970
Molecular FormulaC48H34N4
Molecular Weight666.83 g/mol
Exact Mass666.28
IUPAC Name2-benzo[a]carbazol-11-ylbenzonitrile;2-benzo[c]carbazol-7-ylbenzonitrile;ethane
SMILESCC.N#Cc1ccccc1-n1c2ccccc2c2c3ccccc3ccc21.N#Cc1ccccc1-n1c2ccccc2c2ccc3ccccc3c21
InChIInChI=1S/2C23H14N2.C2H6/c24-15-17-8-2-5-11-21(17)25-22-12-6-4-10-19(22)20-14-13-16-7-1-3-9-18(16)23(20)25;24-15-17-8-2-5-11-20(17)25-21-12-6-4-10-19(21)23-18-9-3-1-7-16(18)13-14-22(23)25;1-2/h2*1-14H;1-2H3
InChIKeyMZNNMCSTHDNWFI-UHFFFAOYSA-N
XLogP12.64
TPSA57.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.83
LogP ≤ 512.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[12-(2-cyanophenyl)indolo[3,2-c]carbazol-5-yl]benzonitrile
CID 130352969
4,5-bis(benzo[a]carbazol-11-yl)benzene-1,2-dicarbonitrile
CID 121324505
7-(3-benzo[a]carbazol-11-yl-2-bromophenyl)benzo[c]carbazole
CID 164534080
5-benzo[a]carbazol-11-yl-2-carbazol-9-ylbenzonitrile
CID 166027892
4-benzo[c]carbazol-7-yl-6-(3-carbazol-9-ylcarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 121329310
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
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)-6-[7-[11-(4-benzo[a]carbazol-11-yl-2,3-dicyanophenyl)benzo[a]carbazol-4-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaen-12-yl]benzene-1,2-dicarbonitrile
CID 167175543
2-benzo[a]carbazol-11-ylbenzene-1,4-dicarbonitrile
CID 121329049
2-benzo[c]carbazol-7-yl-5-(3-carbazol-9-yl-[1]benzothiolo[2,3-a]carbazol-12-yl)benzene-1,4-dicarbonitrile
CID 121328689
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
2-benzo[c]carbazol-7-yl-5-([1]benzofuro[2,3-b]carbazol-7-yl)benzene-1,4-dicarbonitrile
CID 121328536
2-(3-benzo[a]carbazol-11-ylbenzo[c]carbazol-7-yl)quinoline-4-carbonitrile
CID 121337844

Frequently Asked Questions

What is the IUPAC name of 2-benzo[a]carbazol-11-ylbenzonitrile;2-benzo[c]carbazol-7-ylbenzonitrile;ethane?
The IUPAC name of 2-benzo[a]carbazol-11-ylbenzonitrile;2-benzo[c]carbazol-7-ylbenzonitrile;ethane (CID 145009970) is 2-benzo[a]carbazol-11-ylbenzonitrile;2-benzo[c]carbazol-7-ylbenzonitrile;ethane.
What is the SMILES notation for 2-benzo[a]carbazol-11-ylbenzonitrile;2-benzo[c]carbazol-7-ylbenzonitrile;ethane?
The canonical SMILES for 2-benzo[a]carbazol-11-ylbenzonitrile;2-benzo[c]carbazol-7-ylbenzonitrile;ethane is CC.N#Cc1ccccc1-n1c2ccccc2c2c3ccccc3ccc21.N#Cc1ccccc1-n1c2ccccc2c2ccc3ccccc3c21.
What is the InChIKey of 2-benzo[a]carbazol-11-ylbenzonitrile;2-benzo[c]carbazol-7-ylbenzonitrile;ethane?
The InChIKey is MZNNMCSTHDNWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H14N2.C2H6/c24-15-17-8-2-5-11-21(17)25-22-12-6-4-10-19(22)20-14-13-16-7-1-3-9-18(16)23(20)25;24-15-17-8-2-5-11-20(17)25-21-12-6-4-10-19(21)23-18-9-3-1-7-16(18)13-14-22(23)25;1-2/h2*1-14H;1-2H3.
What are the key properties of 2-benzo[a]carbazol-11-ylbenzonitrile;2-benzo[c]carbazol-7-ylbenzonitrile;ethane?
2-benzo[a]carbazol-11-ylbenzonitrile;2-benzo[c]carbazol-7-ylbenzonitrile;ethane has a molecular weight of 666.83 g/mol, XLogP of 12.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzo[a]carbazol-11-ylbenzonitrile;2-benzo[c]carbazol-7-ylbenzonitrile;ethane is sourced from PubChem (CID 145009970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).