N-[4-(8a-methyl-9-phenyl-4b,5,6,9a-tetrahydro-4aH-carbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-(9,9-dimethyl-2,3,4b,8a-tetrahydrofluoren-2-yl)-1,2,8,9-tetrahydrodibenzofuran-1-amine

C52H54N2O — CID 139297515

IUPACN-[4-(8a-methyl-9-phenyl-4b,5,6,9a-tetrahydro-4aH-carbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-(9,9-dimethyl-2,3,4b,8a-tetrahydrofluoren-2-yl)-1,2,8,9-tetrahydrodibenzofuran-1-amine
SMILESCC1(C)C2=CC(N(C3C=CC(C4=CC5C(C=C4)N(c4ccccc4)C4(C)C=CCCC54)=CC3)C3CC=Cc4oc5c(c43)CCC=C5)CC=C2C2C=CC=CC21
InChIInChI=1S/C52H54N2O/c1-51(2)43-18-9-7-16-39(43)40-29-28-38(33-45(40)51)53(47-20-13-22-49-50(47)41-17-8-10-21-48(41)55-49)36-26-23-34(24-27-36)35-25-30-46-42(32-35)44-19-11-12-31-52(44,3)54(46)37-14-5-4-6-15-37/h4-7,9-10,12-16,18,21-26,29-33,36,38-39,42-44,46-47H,8,11,17,19-20,27-28H2,1-3H3
InChIKeyDARIAGZYBKJSFM-UHFFFAOYSA-N
MW723.02 g/mol
LogP12.00
Rot. Bonds5

About N-[4-(8a-methyl-9-phenyl-4b,5,6,9a-tetrahydro-4aH-carbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-(9,9-dimethyl-2,3,4b,8a-tetrahydrofluoren-2-yl)-1,2,8,9-tetrahydrodibenzofuran-1-amine

N-[4-(8a-methyl-9-phenyl-4b,5,6,9a-tetrahydro-4aH-carbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-(9,9-dimethyl-2,3,4b,8a-tetrahydrofluoren-2-yl)-1,2,8,9-tetrahydrodibenzofuran-1-amine (PubChem CID 139297515) has the molecular formula C52H54N2O and a molecular weight of 723.02 g/mol. Its IUPAC name is N-[4-(8a-methyl-9-phenyl-4b,5,6,9a-tetrahydro-4aH-carbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-(9,9-dimethyl-2,3,4b,8a-tetrahydrofluoren-2-yl)-1,2,8,9-tetrahydrodibenzofuran-1-amine.

Molecular Properties

Compound NameN-[4-(8a-methyl-9-phenyl-4b,5,6,9a-tetrahydro-4aH-carbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-(9,9-dimethyl-2,3,4b,8a-tetrahydrofluoren-2-yl)-1,2,8,9-tetrahydrodibenzofuran-1-amine
PubChem CID139297515
Molecular FormulaC52H54N2O
Molecular Weight723.02 g/mol
Exact Mass722.42
IUPAC NameN-[4-(8a-methyl-9-phenyl-4b,5,6,9a-tetrahydro-4aH-carbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-(9,9-dimethyl-2,3,4b,8a-tetrahydrofluoren-2-yl)-1,2,8,9-tetrahydrodibenzofuran-1-amine
SMILESCC1(C)C2=CC(N(C3C=CC(C4=CC5C(C=C4)N(c4ccccc4)C4(C)C=CCCC54)=CC3)C3CC=Cc4oc5c(c43)CCC=C5)CC=C2C2C=CC=CC21
InChIInChI=1S/C52H54N2O/c1-51(2)43-18-9-7-16-39(43)40-29-28-38(33-45(40)51)53(47-20-13-22-49-50(47)41-17-8-10-21-48(41)55-49)36-26-23-34(24-27-36)35-25-30-46-42(32-35)44-19-11-12-31-52(44,3)54(46)37-14-5-4-6-15-37/h4-7,9-10,12-16,18,21-26,29-33,36,38-39,42-44,46-47H,8,11,17,19-20,27-28H2,1-3H3
InChIKeyDARIAGZYBKJSFM-UHFFFAOYSA-N
XLogP12.00
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500723.02
LogP ≤ 512.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-(8a-methyl-9-phenyl-4b,5,6,9a-tetrahydro-4aH-carbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-(9,9-dimethyl-2,3,4b,8a-tetrahydrofluoren-2-yl)-1,2,8,9-tetrahydrodibenzofuran-1-amine with MolForge

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Related Compounds

9,9-dimethyl-N-[4-(9-phenyl-1,7,8,9a-tetrahydrocarbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-(4-phenylphenyl)-7,8-dihydrofluoren-2-amine
CID 167195615
N-cyclohexa-2,4-dien-1-yl-N-(6-methylcyclohexen-1-yl)-4-[4-(3,4,5,6-tetrahydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-amine
CID 170096068
N-(4a,5a,6,7,9a,9b-hexahydrodibenzofuran-1-yl)-9-cyclohexa-1,5-dien-1-yl-N-spiro[2,3,4b,8a-tetrahydrofluorene-9,1'-cyclopentane]-2-yl-3,4,5,6,7,8-hexahydrocarbazol-3-amine
CID 139297511
5-(3-cyclohexa-1,5-dien-1-ylspiro[4a,8a,9a,10a-tetrahydroxanthene-9,9'-xanthene]-3'-yl)-9-phenyl-4a,9a-dihydrocarbazole
CID 135159144
2-(7-cyclohexa-2,4-dien-1-yl-1,2-dihydro-[1]benzofuro[2,3-b]carbazol-10-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 145140879
2'-bromo-7'-cyclohexa-1,5-dien-1-ylspiro[2,3,4b,8a-tetrahydrofluorene-9,9'-4a,4b,8a,9a-tetrahydrofluorene]
CID 166957200
9-(9,9-dimethyl-2,3,4,4a,4b,8a-hexahydrofluoren-3-yl)-3-[9-(4-phenylphenyl)-2,3,4,4a,7,8-hexahydrocarbazol-3-yl]-4a,4b,8a,9a-tetrahydrocarbazole
CID 138625898
6-[9-[1-(9,9-dimethyl-3,4,4b,8a-tetrahydrofluoren-1-yl)-3,4,7,8-tetrahydrodibenzofuran-3-yl]-3,4-dihydrocarbazol-3-yl]-9-phenyl-3,4-dihydrocarbazole
CID 163678757
3-[(9bS)-9b-methyl-4,4a,5a,9a-tetrahydro-3H-dibenzothiophen-4-yl]-9-(4-phenylphenyl)-4a,4b,8a,9a-tetrahydrocarbazole
CID 134390359
N-(3,4-diphenylphenyl)-9,9-dimethyl-N-[3-(1-phenylnaphthalen-2-yl)phenyl]-2,3,4b,8a-tetrahydrofluoren-3-amine
CID 156558968
9-[4-[10-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]anthracen-9-yl]cyclohexa-2,4-dien-1-yl]-3,4-dihydrocarbazole
CID 142867894
N-[4-(9-phenyl-5,6-dihydrocarbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 129311306

Frequently Asked Questions

What is the IUPAC name of N-[4-(8a-methyl-9-phenyl-4b,5,6,9a-tetrahydro-4aH-carbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-(9,9-dimethyl-2,3,4b,8a-tetrahydrofluoren-2-yl)-1,2,8,9-tetrahydrodibenzofuran-1-amine?
The IUPAC name of N-[4-(8a-methyl-9-phenyl-4b,5,6,9a-tetrahydro-4aH-carbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-(9,9-dimethyl-2,3,4b,8a-tetrahydrofluoren-2-yl)-1,2,8,9-tetrahydrodibenzofuran-1-amine (CID 139297515) is N-[4-(8a-methyl-9-phenyl-4b,5,6,9a-tetrahydro-4aH-carbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-(9,9-dimethyl-2,3,4b,8a-tetrahydrofluoren-2-yl)-1,2,8,9-tetrahydrodibenzofuran-1-amine.
What is the SMILES notation for N-[4-(8a-methyl-9-phenyl-4b,5,6,9a-tetrahydro-4aH-carbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-(9,9-dimethyl-2,3,4b,8a-tetrahydrofluoren-2-yl)-1,2,8,9-tetrahydrodibenzofuran-1-amine?
The canonical SMILES for N-[4-(8a-methyl-9-phenyl-4b,5,6,9a-tetrahydro-4aH-carbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-(9,9-dimethyl-2,3,4b,8a-tetrahydrofluoren-2-yl)-1,2,8,9-tetrahydrodibenzofuran-1-amine is CC1(C)C2=CC(N(C3C=CC(C4=CC5C(C=C4)N(c4ccccc4)C4(C)C=CCCC54)=CC3)C3CC=Cc4oc5c(c43)CCC=C5)CC=C2C2C=CC=CC21.
What is the InChIKey of N-[4-(8a-methyl-9-phenyl-4b,5,6,9a-tetrahydro-4aH-carbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-(9,9-dimethyl-2,3,4b,8a-tetrahydrofluoren-2-yl)-1,2,8,9-tetrahydrodibenzofuran-1-amine?
The InChIKey is DARIAGZYBKJSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H54N2O/c1-51(2)43-18-9-7-16-39(43)40-29-28-38(33-45(40)51)53(47-20-13-22-49-50(47)41-17-8-10-21-48(41)55-49)36-26-23-34(24-27-36)35-25-30-46-42(32-35)44-19-11-12-31-52(44,3)54(46)37-14-5-4-6-15-37/h4-7,9-10,12-16,18,21-26,29-33,36,38-39,42-44,46-47H,8,11,17,19-20,27-28H2,1-3H3.
What are the key properties of N-[4-(8a-methyl-9-phenyl-4b,5,6,9a-tetrahydro-4aH-carbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-(9,9-dimethyl-2,3,4b,8a-tetrahydrofluoren-2-yl)-1,2,8,9-tetrahydrodibenzofuran-1-amine?
N-[4-(8a-methyl-9-phenyl-4b,5,6,9a-tetrahydro-4aH-carbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-(9,9-dimethyl-2,3,4b,8a-tetrahydrofluoren-2-yl)-1,2,8,9-tetrahydrodibenzofuran-1-amine has a molecular weight of 723.02 g/mol, XLogP of 12.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(8a-methyl-9-phenyl-4b,5,6,9a-tetrahydro-4aH-carbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-(9,9-dimethyl-2,3,4b,8a-tetrahydrofluoren-2-yl)-1,2,8,9-tetrahydrodibenzofuran-1-amine is sourced from PubChem (CID 139297515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).