N-[4-(9-cyclohex-3-en-1-ylcarbazol-3-yl)phenyl]-N-(9,9-dimethyl-1,4b,5,6,8a,9a-hexahydrofluoren-2-yl)-9,9-dimethyl-4b,7,8,8a-tetrahydrofluoren-2-amine

C54H56N2 — CID 170041744

IUPACN-[4-(9-cyclohex-3-en-1-ylcarbazol-3-yl)phenyl]-N-(9,9-dimethyl-1,4b,5,6,8a,9a-hexahydrofluoren-2-yl)-9,9-dimethyl-4b,7,8,8a-tetrahydrofluoren-2-amine
SMILESCC1(C)c2cc(N(C3=CC=C4C5CCC=CC5C(C)(C)C4C3)c3ccc(-c4ccc5c(c4)c4ccccc4n5C4CC=CCC4)cc3)ccc2C2C=CCCC21
InChIInChI=1S/C54H56N2/c1-53(2)47-19-11-8-16-41(47)43-29-27-39(33-49(43)53)55(40-28-30-44-42-17-9-12-20-48(42)54(3,4)50(44)34-40)38-25-22-35(23-26-38)36-24-31-52-46(32-36)45-18-10-13-21-51(45)56(52)37-14-6-5-7-15-37/h5-6,8,10,12-13,16,18,20-33,37,41-42,47-48,50H,7,9,11,14-15,17,19,34H2,1-4H3
InChIKeyWUDOUIDKCLRUAG-UHFFFAOYSA-N
MW733.06 g/mol
LogP14.67
Rot. Bonds5

About N-[4-(9-cyclohex-3-en-1-ylcarbazol-3-yl)phenyl]-N-(9,9-dimethyl-1,4b,5,6,8a,9a-hexahydrofluoren-2-yl)-9,9-dimethyl-4b,7,8,8a-tetrahydrofluoren-2-amine

N-[4-(9-cyclohex-3-en-1-ylcarbazol-3-yl)phenyl]-N-(9,9-dimethyl-1,4b,5,6,8a,9a-hexahydrofluoren-2-yl)-9,9-dimethyl-4b,7,8,8a-tetrahydrofluoren-2-amine (PubChem CID 170041744) has the molecular formula C54H56N2 and a molecular weight of 733.06 g/mol. Its IUPAC name is N-[4-(9-cyclohex-3-en-1-ylcarbazol-3-yl)phenyl]-N-(9,9-dimethyl-1,4b,5,6,8a,9a-hexahydrofluoren-2-yl)-9,9-dimethyl-4b,7,8,8a-tetrahydrofluoren-2-amine.

Molecular Properties

Compound NameN-[4-(9-cyclohex-3-en-1-ylcarbazol-3-yl)phenyl]-N-(9,9-dimethyl-1,4b,5,6,8a,9a-hexahydrofluoren-2-yl)-9,9-dimethyl-4b,7,8,8a-tetrahydrofluoren-2-amine
PubChem CID170041744
Molecular FormulaC54H56N2
Molecular Weight733.06 g/mol
Exact Mass732.44
IUPAC NameN-[4-(9-cyclohex-3-en-1-ylcarbazol-3-yl)phenyl]-N-(9,9-dimethyl-1,4b,5,6,8a,9a-hexahydrofluoren-2-yl)-9,9-dimethyl-4b,7,8,8a-tetrahydrofluoren-2-amine
SMILESCC1(C)c2cc(N(C3=CC=C4C5CCC=CC5C(C)(C)C4C3)c3ccc(-c4ccc5c(c4)c4ccccc4n5C4CC=CCC4)cc3)ccc2C2C=CCCC21
InChIInChI=1S/C54H56N2/c1-53(2)47-19-11-8-16-41(47)43-29-27-39(33-49(43)53)55(40-28-30-44-42-17-9-12-20-48(42)54(3,4)50(44)34-40)38-25-22-35(23-26-38)36-24-31-52-46(32-36)45-18-10-13-21-51(45)56(52)37-14-6-5-7-15-37/h5-6,8,10,12-13,16,18,20-33,37,41-42,47-48,50H,7,9,11,14-15,17,19,34H2,1-4H3
InChIKeyWUDOUIDKCLRUAG-UHFFFAOYSA-N
XLogP14.67
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.06
LogP ≤ 514.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[4-(9-cyclohex-3-en-1-ylcarbazol-3-yl)phenyl]-N-(9,9-dimethyl-1,4b,5,6,8a,9a-hexahydrofluoren-2-yl)-9,9-dimethyl-4b,7,8,8a-tetrahydrofluoren-2-amine with MolForge

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Related Compounds

9,9-dimethyl-N-[4-(9-phenyl-3,4-dihydrocarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-4b,7,8,8a-tetrahydrofluoren-2-amine
CID 138510419
9-cyclohex-3-en-1-yl-3-N,6-N-bis[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]-3-N,6-N-bis(4-methoxyphenyl)carbazole-3,6-diamine
CID 123196809
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(3-phenylphenyl)-1,9a-dihydrofluoren-2-amine
CID 134361033
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-1,9a-dihydrofluoren-2-amine
CID 129228869
N-[4-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylcyclohexa-1,3-dien-1-yl)fluoren-2-amine
CID 146509977
N-[4-[4-(9-cyclohexylcarbazol-3-yl)naphthalen-1-yl]phenyl]-N,4-diphenylaniline;N-[4-[5-(9-cyclohexylcarbazol-3-yl)naphthalen-1-yl]phenyl]-N,4-diphenylaniline;N-[4-[3-(9-cyclohexylcarbazol-3-yl)phenyl]phenyl]-N,4-diphenylaniline;3-[3-(9-cyclohexylcarbazol-3-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)aniline;3-[4-(9-cyclohexylcarbazol-3-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)aniline;4-[4-(9-cyclohexylcarbazol-3-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)naphthalen-1-amine
CID 161496271
9,9-dimethyl-N-[4-(9-phenyl-5,6-dihydrocarbazol-3-yl)phenyl]-N-(3-phenylphenyl)-1,9a-dihydrofluoren-2-amine
CID 167280862
N-(9,9-dimethylfluoren-2-yl)-9-[2-[3-(N-(9,9-dimethylfluoren-3-yl)-4-phenylanilino)carbazol-9-yl]cyclohexyl]-N-phenylcarbazol-3-amine
CID 163700429
N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 166820061
9,9-dimethyl-N-phenyl-7-(3-phenylcarbazol-9-yl)-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 58390142
4-N-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-4-N-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-1-N,1-N-diphenylbenzene-1,4-diamine
CID 70917255
7-N-(4-cyclohex-3-en-1-ylphenyl)-9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N-(4-phenylphenyl)fluorene-2,7-diamine
CID 170122172

Frequently Asked Questions

What is the IUPAC name of N-[4-(9-cyclohex-3-en-1-ylcarbazol-3-yl)phenyl]-N-(9,9-dimethyl-1,4b,5,6,8a,9a-hexahydrofluoren-2-yl)-9,9-dimethyl-4b,7,8,8a-tetrahydrofluoren-2-amine?
The IUPAC name of N-[4-(9-cyclohex-3-en-1-ylcarbazol-3-yl)phenyl]-N-(9,9-dimethyl-1,4b,5,6,8a,9a-hexahydrofluoren-2-yl)-9,9-dimethyl-4b,7,8,8a-tetrahydrofluoren-2-amine (CID 170041744) is N-[4-(9-cyclohex-3-en-1-ylcarbazol-3-yl)phenyl]-N-(9,9-dimethyl-1,4b,5,6,8a,9a-hexahydrofluoren-2-yl)-9,9-dimethyl-4b,7,8,8a-tetrahydrofluoren-2-amine.
What is the SMILES notation for N-[4-(9-cyclohex-3-en-1-ylcarbazol-3-yl)phenyl]-N-(9,9-dimethyl-1,4b,5,6,8a,9a-hexahydrofluoren-2-yl)-9,9-dimethyl-4b,7,8,8a-tetrahydrofluoren-2-amine?
The canonical SMILES for N-[4-(9-cyclohex-3-en-1-ylcarbazol-3-yl)phenyl]-N-(9,9-dimethyl-1,4b,5,6,8a,9a-hexahydrofluoren-2-yl)-9,9-dimethyl-4b,7,8,8a-tetrahydrofluoren-2-amine is CC1(C)c2cc(N(C3=CC=C4C5CCC=CC5C(C)(C)C4C3)c3ccc(-c4ccc5c(c4)c4ccccc4n5C4CC=CCC4)cc3)ccc2C2C=CCCC21.
What is the InChIKey of N-[4-(9-cyclohex-3-en-1-ylcarbazol-3-yl)phenyl]-N-(9,9-dimethyl-1,4b,5,6,8a,9a-hexahydrofluoren-2-yl)-9,9-dimethyl-4b,7,8,8a-tetrahydrofluoren-2-amine?
The InChIKey is WUDOUIDKCLRUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H56N2/c1-53(2)47-19-11-8-16-41(47)43-29-27-39(33-49(43)53)55(40-28-30-44-42-17-9-12-20-48(42)54(3,4)50(44)34-40)38-25-22-35(23-26-38)36-24-31-52-46(32-36)45-18-10-13-21-51(45)56(52)37-14-6-5-7-15-37/h5-6,8,10,12-13,16,18,20-33,37,41-42,47-48,50H,7,9,11,14-15,17,19,34H2,1-4H3.
What are the key properties of N-[4-(9-cyclohex-3-en-1-ylcarbazol-3-yl)phenyl]-N-(9,9-dimethyl-1,4b,5,6,8a,9a-hexahydrofluoren-2-yl)-9,9-dimethyl-4b,7,8,8a-tetrahydrofluoren-2-amine?
N-[4-(9-cyclohex-3-en-1-ylcarbazol-3-yl)phenyl]-N-(9,9-dimethyl-1,4b,5,6,8a,9a-hexahydrofluoren-2-yl)-9,9-dimethyl-4b,7,8,8a-tetrahydrofluoren-2-amine has a molecular weight of 733.06 g/mol, XLogP of 14.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9-cyclohex-3-en-1-ylcarbazol-3-yl)phenyl]-N-(9,9-dimethyl-1,4b,5,6,8a,9a-hexahydrofluoren-2-yl)-9,9-dimethyl-4b,7,8,8a-tetrahydrofluoren-2-amine is sourced from PubChem (CID 170041744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).