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

C43H43N — CID 89342945

IUPAC9-[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
SMILESCC1(C)C2=C(CCC(C3=CC=C(n4c5ccccc5c5ccccc54)CC3)=C2)C2=CC=C(C3=CC4=C(CCCC4)CC3)CC21
InChIInChI=1S/C43H43N/c1-43(2)39-26-32(29-17-21-34(22-18-29)44-41-13-7-5-11-37(41)38-12-6-8-14-42(38)44)19-23-35(39)36-24-20-33(27-40(36)43)31-16-15-28-9-3-4-10-30(28)25-31/h5-8,11-14,17,20-21,24-26,40H,3-4,9-10,15-16,18-19,22-23,27H2,1-2H3
InChIKeyAFMHESHQJVNKHR-UHFFFAOYSA-N
MW573.82 g/mol
LogP11.88
Rot. Bonds3

About 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

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 (PubChem CID 89342945) has the molecular formula C43H43N and a molecular weight of 573.82 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-[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
PubChem CID89342945
Molecular FormulaC43H43N
Molecular Weight573.82 g/mol
Exact Mass573.34
IUPAC Name9-[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
SMILESCC1(C)C2=C(CCC(C3=CC=C(n4c5ccccc5c5ccccc54)CC3)=C2)C2=CC=C(C3=CC4=C(CCCC4)CC3)CC21
InChIInChI=1S/C43H43N/c1-43(2)39-26-32(29-17-21-34(22-18-29)44-41-13-7-5-11-37(41)38-12-6-8-14-42(38)44)19-23-35(39)36-24-20-33(27-40(36)43)31-16-15-28-9-3-4-10-30(28)25-31/h5-8,11-14,17,20-21,24-26,40H,3-4,9-10,15-16,18-19,22-23,27H2,1-2H3
InChIKeyAFMHESHQJVNKHR-UHFFFAOYSA-N
XLogP11.88
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.82
LogP ≤ 511.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 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 with MolForge

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Related Compounds

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
3-[9-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)carbazol-3-yl]-6,9-diphenylcarbazole
CID 129298840
3,6-dibromo-9-(4-phenylcyclohexa-1,3-dien-1-yl)carbazole
CID 163886610
9-[4-(4-methylcyclohexa-1,3-dien-1-yl)phenyl]carbazole
CID 118534055
2-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylcyclohexa-1,3-dien-1-yl)carbazole
CID 144579058
N-phenyl-9-(4-phenylcyclohexa-1,3-dien-1-yl)-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 130390595
9-[4-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]cyclohexa-1,3-dien-1-yl]carbazole
CID 71175979
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-1,9a-dihydrofluoren-2-amine
CID 129228869
4-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene-1-carbonitrile
CID 118632509
3-[4-[7-(4-carbazol-9-ylcyclohexa-1,3-dien-1-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 129075941
2-(6-iodo-7,8-dihydronaphthalen-2-yl)-9,9-dimethyl-1,5,6,9a-tetrahydrofluorene
CID 89161599
7,7-dimethyl-12-phenyl-8,9,10,11-tetrahydroindeno[1,2-a]carbazole
CID 90055294

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)C2=C(CCC(C3=CC=C(n4c5ccccc5c5ccccc54)CC3)=C2)C2=CC=C(C3=CC4=C(CCCC4)CC3)CC21.
What is the InChIKey of 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?
The InChIKey is AFMHESHQJVNKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H43N/c1-43(2)39-26-32(29-17-21-34(22-18-29)44-41-13-7-5-11-37(41)38-12-6-8-14-42(38)44)19-23-35(39)36-24-20-33(27-40(36)43)31-16-15-28-9-3-4-10-30(28)25-31/h5-8,11-14,17,20-21,24-26,40H,3-4,9-10,15-16,18-19,22-23,27H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 573.82 g/mol, XLogP of 11.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 89342945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).