11-cyclohexa-1,3-dien-1-yl-12-phenylindolo[2,3-a]carbazole

C30H22N2 — CID 134390608

IUPAC11-cyclohexa-1,3-dien-1-yl-12-phenylindolo[2,3-a]carbazole
SMILESC1=CCCC(n2c3ccccc3c3ccc4c5ccccc5n(-c5ccccc5)c4c32)=C1
InChIInChI=1S/C30H22N2/c1-3-11-21(12-4-1)31-27-17-9-7-15-23(27)25-19-20-26-24-16-8-10-18-28(24)32(30(26)29(25)31)22-13-5-2-6-14-22/h1-5,7-13,15-20H,6,14H2
InChIKeyZJLLWUHATOMIGJ-UHFFFAOYSA-N
MW410.52 g/mol
LogP8.08
Rot. Bonds2

About 11-cyclohexa-1,3-dien-1-yl-12-phenylindolo[2,3-a]carbazole

11-cyclohexa-1,3-dien-1-yl-12-phenylindolo[2,3-a]carbazole (PubChem CID 134390608) has the molecular formula C30H22N2 and a molecular weight of 410.52 g/mol. Its IUPAC name is 11-cyclohexa-1,3-dien-1-yl-12-phenylindolo[2,3-a]carbazole.

Molecular Properties

Compound Name11-cyclohexa-1,3-dien-1-yl-12-phenylindolo[2,3-a]carbazole
PubChem CID134390608
Molecular FormulaC30H22N2
Molecular Weight410.52 g/mol
Exact Mass410.18
IUPAC Name11-cyclohexa-1,3-dien-1-yl-12-phenylindolo[2,3-a]carbazole
SMILESC1=CCCC(n2c3ccccc3c3ccc4c5ccccc5n(-c5ccccc5)c4c32)=C1
InChIInChI=1S/C30H22N2/c1-3-11-21(12-4-1)31-27-17-9-7-15-23(27)25-19-20-26-24-16-8-10-18-28(24)32(30(26)29(25)31)22-13-5-2-6-14-22/h1-5,7-13,15-20H,6,14H2
InChIKeyZJLLWUHATOMIGJ-UHFFFAOYSA-N
XLogP8.08
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.52
LogP ≤ 58.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

12-cyclohexa-1,3-dien-1-yl-5-[4-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]phenyl]indolo[3,2-c]carbazole
CID 170206804
3-[9-(9-cyclohexa-1,3-dien-1-ylcarbazol-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 142364492
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
9-cyclohexa-1,3-dien-1-yl-1-[9-(4-phenylphenyl)-7,8-dihydrocarbazol-1-yl]carbazole
CID 169037269
9-cyclohexa-1,3-dien-1-yl-N-phenyl-N-[4-[4-(N-(9-phenylcarbazol-3-yl)anilino)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]carbazol-3-amine
CID 89163979
11,12-bis(4-carbazol-9-ylphenyl)indolo[2,3-a]carbazole
CID 70938031
15-cyclohexa-1,3-dien-1-yl-3-(4-phenylquinazolin-2-yl)-23-thia-3,15-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene
CID 129295322
N-cyclohexa-1,3-dien-1-yl-N,11-diphenylbenzo[a]carbazol-1-amine
CID 155034554
11-phenyl-12-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 118501913
11-cyclohexa-1,3-dien-1-yl-12-(7-cyclohexa-1,3-dien-1-yl-4-phenylpyrimido[4,5-d]pyrimidin-2-yl)indolo[2,3-a]carbazole
CID 70912361
7-cyclohexa-1,3-dien-1-yl-10-[5-(9-phenylcarbazol-3-yl)naphthalen-1-yl]benzo[c]carbazole
CID 139481313
3-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)-9-[4-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]carbazole
CID 145077522

Frequently Asked Questions

What is the IUPAC name of 11-cyclohexa-1,3-dien-1-yl-12-phenylindolo[2,3-a]carbazole?
The IUPAC name of 11-cyclohexa-1,3-dien-1-yl-12-phenylindolo[2,3-a]carbazole (CID 134390608) is 11-cyclohexa-1,3-dien-1-yl-12-phenylindolo[2,3-a]carbazole.
What is the SMILES notation for 11-cyclohexa-1,3-dien-1-yl-12-phenylindolo[2,3-a]carbazole?
The canonical SMILES for 11-cyclohexa-1,3-dien-1-yl-12-phenylindolo[2,3-a]carbazole is C1=CCCC(n2c3ccccc3c3ccc4c5ccccc5n(-c5ccccc5)c4c32)=C1.
What is the InChIKey of 11-cyclohexa-1,3-dien-1-yl-12-phenylindolo[2,3-a]carbazole?
The InChIKey is ZJLLWUHATOMIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N2/c1-3-11-21(12-4-1)31-27-17-9-7-15-23(27)25-19-20-26-24-16-8-10-18-28(24)32(30(26)29(25)31)22-13-5-2-6-14-22/h1-5,7-13,15-20H,6,14H2.
What are the key properties of 11-cyclohexa-1,3-dien-1-yl-12-phenylindolo[2,3-a]carbazole?
11-cyclohexa-1,3-dien-1-yl-12-phenylindolo[2,3-a]carbazole has a molecular weight of 410.52 g/mol, XLogP of 8.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-cyclohexa-1,3-dien-1-yl-12-phenylindolo[2,3-a]carbazole is sourced from PubChem (CID 134390608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).