10-(7H-benzo[c]carbazol-10-yl)-7-cyclohexa-1,3-dien-1-ylbenzo[c]carbazole

C38H26N2 — CID 131998857

IUPAC10-(7H-benzo[c]carbazol-10-yl)-7-cyclohexa-1,3-dien-1-ylbenzo[c]carbazole
SMILESC1=CCCC(n2c3ccc(-c4ccc5[nH]c6ccc7ccccc7c6c5c4)cc3c3c4ccccc4ccc32)=C1
InChIInChI=1S/C38H26N2/c1-2-10-28(11-3-1)40-35-20-17-27(23-32(35)38-30-13-7-5-9-25(30)16-21-36(38)40)26-15-18-33-31(22-26)37-29-12-6-4-8-24(29)14-19-34(37)39-33/h1-2,4-10,12-23,39H,3,11H2
InChIKeyLJXPUDTWPLBKJM-UHFFFAOYSA-N
MW510.64 g/mol
LogP10.59
Rot. Bonds2

About 10-(7H-benzo[c]carbazol-10-yl)-7-cyclohexa-1,3-dien-1-ylbenzo[c]carbazole

10-(7H-benzo[c]carbazol-10-yl)-7-cyclohexa-1,3-dien-1-ylbenzo[c]carbazole (PubChem CID 131998857) has the molecular formula C38H26N2 and a molecular weight of 510.64 g/mol. Its IUPAC name is 10-(7H-benzo[c]carbazol-10-yl)-7-cyclohexa-1,3-dien-1-ylbenzo[c]carbazole.

Molecular Properties

Compound Name10-(7H-benzo[c]carbazol-10-yl)-7-cyclohexa-1,3-dien-1-ylbenzo[c]carbazole
PubChem CID131998857
Molecular FormulaC38H26N2
Molecular Weight510.64 g/mol
Exact Mass510.21
IUPAC Name10-(7H-benzo[c]carbazol-10-yl)-7-cyclohexa-1,3-dien-1-ylbenzo[c]carbazole
SMILESC1=CCCC(n2c3ccc(-c4ccc5[nH]c6ccc7ccccc7c6c5c4)cc3c3c4ccccc4ccc32)=C1
InChIInChI=1S/C38H26N2/c1-2-10-28(11-3-1)40-35-20-17-27(23-32(35)38-30-13-7-5-9-25(30)16-21-36(38)40)26-15-18-33-31(22-26)37-29-12-6-4-8-24(29)14-19-34(37)39-33/h1-2,4-10,12-23,39H,3,11H2
InChIKeyLJXPUDTWPLBKJM-UHFFFAOYSA-N
XLogP10.59
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.64
LogP ≤ 510.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7-cyclohexa-1,3-dien-1-yl-10-[5-(9-phenylcarbazol-3-yl)naphthalen-1-yl]benzo[c]carbazole
CID 139481313
10-naphthalen-2-yl-7H-benzo[c]carbazole
CID 144640313
16-cyclohexa-1,3-dien-1-yl-12-(3-phenyl-1,4,4a,8a-tetrahydroquinoxalin-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 134604190
5-(7H-benzo[c]carbazol-10-yl)-9-phenyl-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene
CID 134301025
7-fluoranthen-2-yl-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole;10-(9-phenylcarbazol-3-yl)-7H-benzo[c]carbazole
CID 162231540
10-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]-7H-benzo[c]carbazole
CID 150701377
3-[9-(9-cyclohexa-1,3-dien-1-ylcarbazol-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 142364492
7-naphthalen-2-yl-10-(7-naphthalen-2-ylbenzo[c]carbazol-10-yl)benzo[c]carbazole
CID 118919598
3-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)-9-dibenzothiophen-1-yl-6-phenylcarbazole
CID 169036908
9-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 134442711
14-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)-28-(disulfanyl)-28-methyl-14-azaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene;ethane
CID 142294450
CID 134171795
CID 134171795

Frequently Asked Questions

What is the IUPAC name of 10-(7H-benzo[c]carbazol-10-yl)-7-cyclohexa-1,3-dien-1-ylbenzo[c]carbazole?
The IUPAC name of 10-(7H-benzo[c]carbazol-10-yl)-7-cyclohexa-1,3-dien-1-ylbenzo[c]carbazole (CID 131998857) is 10-(7H-benzo[c]carbazol-10-yl)-7-cyclohexa-1,3-dien-1-ylbenzo[c]carbazole.
What is the SMILES notation for 10-(7H-benzo[c]carbazol-10-yl)-7-cyclohexa-1,3-dien-1-ylbenzo[c]carbazole?
The canonical SMILES for 10-(7H-benzo[c]carbazol-10-yl)-7-cyclohexa-1,3-dien-1-ylbenzo[c]carbazole is C1=CCCC(n2c3ccc(-c4ccc5[nH]c6ccc7ccccc7c6c5c4)cc3c3c4ccccc4ccc32)=C1.
What is the InChIKey of 10-(7H-benzo[c]carbazol-10-yl)-7-cyclohexa-1,3-dien-1-ylbenzo[c]carbazole?
The InChIKey is LJXPUDTWPLBKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26N2/c1-2-10-28(11-3-1)40-35-20-17-27(23-32(35)38-30-13-7-5-9-25(30)16-21-36(38)40)26-15-18-33-31(22-26)37-29-12-6-4-8-24(29)14-19-34(37)39-33/h1-2,4-10,12-23,39H,3,11H2.
What are the key properties of 10-(7H-benzo[c]carbazol-10-yl)-7-cyclohexa-1,3-dien-1-ylbenzo[c]carbazole?
10-(7H-benzo[c]carbazol-10-yl)-7-cyclohexa-1,3-dien-1-ylbenzo[c]carbazole has a molecular weight of 510.64 g/mol, XLogP of 10.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(7H-benzo[c]carbazol-10-yl)-7-cyclohexa-1,3-dien-1-ylbenzo[c]carbazole is sourced from PubChem (CID 131998857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).