9-[4-[4-(1,5,6,8b,12a,12b-hexahydrotriphenylen-2-yl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]carbazole

C42H37N — CID 123149050

IUPAC9-[4-[4-(1,5,6,8b,12a,12b-hexahydrotriphenylen-2-yl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]carbazole
SMILESC1=CC2C3=C(CCC=C3)C3=CC=C(C4=CC=C(C5=CC=C(n6c7ccccc7c7ccccc76)CC5)CC4)CC3C2C=C1
InChIInChI=1S/C42H37N/c1-2-11-35-33(9-1)34-10-3-4-12-36(34)40-27-31(23-26-37(35)40)30-19-17-28(18-20-30)29-21-24-32(25-22-29)43-41-15-7-5-13-38(41)39-14-6-8-16-42(39)43/h1,3-10,12-17,19,21,23-24,26,34,36,40H,2,11,18,20,22,25,27H2
InChIKeyFJMQVIYCUYCPBA-UHFFFAOYSA-N
MW555.77 g/mol
LogP10.89
Rot. Bonds3

About 9-[4-[4-(1,5,6,8b,12a,12b-hexahydrotriphenylen-2-yl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]carbazole

9-[4-[4-(1,5,6,8b,12a,12b-hexahydrotriphenylen-2-yl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]carbazole (PubChem CID 123149050) has the molecular formula C42H37N and a molecular weight of 555.77 g/mol. Its IUPAC name is 9-[4-[4-(1,5,6,8b,12a,12b-hexahydrotriphenylen-2-yl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]carbazole.

Molecular Properties

Compound Name9-[4-[4-(1,5,6,8b,12a,12b-hexahydrotriphenylen-2-yl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]carbazole
PubChem CID123149050
Molecular FormulaC42H37N
Molecular Weight555.77 g/mol
Exact Mass555.29
IUPAC Name9-[4-[4-(1,5,6,8b,12a,12b-hexahydrotriphenylen-2-yl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]carbazole
SMILESC1=CC2C3=C(CCC=C3)C3=CC=C(C4=CC=C(C5=CC=C(n6c7ccccc7c7ccccc76)CC5)CC4)CC3C2C=C1
InChIInChI=1S/C42H37N/c1-2-11-35-33(9-1)34-10-3-4-12-36(34)40-27-31(23-26-37(35)40)30-19-17-28(18-20-30)29-21-24-32(25-22-29)43-41-15-7-5-13-38(41)39-14-6-8-16-42(39)43/h1,3-10,12-17,19,21,23-24,26,34,36,40H,2,11,18,20,22,25,27H2
InChIKeyFJMQVIYCUYCPBA-UHFFFAOYSA-N
XLogP10.89
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.77
LogP ≤ 510.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 9-[4-[4-(1,5,6,8b,12a,12b-hexahydrotriphenylen-2-yl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]carbazole with MolForge

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Related Compounds

CID 123495975
CID 123495975
9-[4-[7-(3,4,5,6,7,8-hexahydronaphthalen-2-yl)-9,9-dimethyl-3,4,8,8a-tetrahydrofluoren-2-yl]cyclohexa-1,3-dien-1-yl]carbazole
CID 89342945
6,12-bis[4-(1,7,8,8a-tetrahydronaphthalen-2-yl)cyclohexa-1,3-dien-1-yl]-4a,4b,5,12a-tetrahydrochrysene
CID 123238972
8-[4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),3,5,8(13),9,15,17,19,21-nonaenyl)cyclohexa-1,3-dien-1-yl]-1,2-dihydrodibenzofuran
CID 163787074
3-(1,5a,9a,9b-tetrahydrodibenzofuran-2-yl)-9-(4-cyclohexa-1,3-dien-1-ylphenyl)carbazole
CID 146359999
9-[4-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]cyclohexa-1,3-dien-1-yl]carbazole
CID 71175979
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
9-(2,4-diphenyl-2,3-dihydropyridin-6-yl)-3-[9-[5-[2-[3-[2-phenyl-4-[3-[9-(4-phenylcyclohexa-1,3-dien-1-yl)-1,2,7,8-tetrahydrocarbazol-2-yl]carbazol-9-yl]-1,2,3,6-tetrahydropyridin-6-yl]phenyl]cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-dien-1-yl]-4b,8a-dihydrocarbazol-2-yl]carbazole
CID 138613957
2-[9-(3,4,5,6,7,8,8b,12a-octahydrotriphenylen-2-yl)carbazol-2-yl]-9-pyridin-4-ylcarbazole
CID 138613730
9-(4a,8a-dihydronaphthalen-1-yl)-10-(1,7,8,8a-tetrahydronaphthalen-2-yl)anthracene
CID 123320771
1-[4-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]cyclohexa-1,3-dien-1-yl]-2-phenylbenzimidazole
CID 168725301
N-phenyl-9-(4-phenylcyclohexa-1,3-dien-1-yl)-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 130390595

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-(1,5,6,8b,12a,12b-hexahydrotriphenylen-2-yl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]carbazole?
The IUPAC name of 9-[4-[4-(1,5,6,8b,12a,12b-hexahydrotriphenylen-2-yl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]carbazole (CID 123149050) is 9-[4-[4-(1,5,6,8b,12a,12b-hexahydrotriphenylen-2-yl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]carbazole.
What is the SMILES notation for 9-[4-[4-(1,5,6,8b,12a,12b-hexahydrotriphenylen-2-yl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]carbazole?
The canonical SMILES for 9-[4-[4-(1,5,6,8b,12a,12b-hexahydrotriphenylen-2-yl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]carbazole is C1=CC2C3=C(CCC=C3)C3=CC=C(C4=CC=C(C5=CC=C(n6c7ccccc7c7ccccc76)CC5)CC4)CC3C2C=C1.
What is the InChIKey of 9-[4-[4-(1,5,6,8b,12a,12b-hexahydrotriphenylen-2-yl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]carbazole?
The InChIKey is FJMQVIYCUYCPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H37N/c1-2-11-35-33(9-1)34-10-3-4-12-36(34)40-27-31(23-26-37(35)40)30-19-17-28(18-20-30)29-21-24-32(25-22-29)43-41-15-7-5-13-38(41)39-14-6-8-16-42(39)43/h1,3-10,12-17,19,21,23-24,26,34,36,40H,2,11,18,20,22,25,27H2.
What are the key properties of 9-[4-[4-(1,5,6,8b,12a,12b-hexahydrotriphenylen-2-yl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]carbazole?
9-[4-[4-(1,5,6,8b,12a,12b-hexahydrotriphenylen-2-yl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]carbazole has a molecular weight of 555.77 g/mol, XLogP of 10.89, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-(1,5,6,8b,12a,12b-hexahydrotriphenylen-2-yl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]carbazole is sourced from PubChem (CID 123149050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).