N-[2-[6-[9-(cyclohexen-1-yl)carbazol-2-yl]cyclohexa-1,5-dien-1-yl]cyclohexen-1-yl]-1-(3-phenylcyclohexa-1,5-dien-1-yl)-2,3,5a,6,7,9a-hexahydrodibenzofuran-4-amine

C54H54N2O — CID 146490702

IUPACN-[2-[6-[9-(cyclohexen-1-yl)carbazol-2-yl]cyclohexa-1,5-dien-1-yl]cyclohexen-1-yl]-1-(3-phenylcyclohexa-1,5-dien-1-yl)-2,3,5a,6,7,9a-hexahydrodibenzofuran-4-amine
SMILESC1=CC2C3=C(C4=CC(c5ccccc5)CC=C4)CCC(NC4=C(C5=CCCC=C5c5ccc6c7ccccc7n(C7=CCCCC7)c6c5)CCCC4)=C3OC2CC1
InChIInChI=1S/C54H54N2O/c1-3-16-36(17-4-1)37-18-15-19-38(34-37)42-32-33-49(54-53(42)47-26-11-14-29-52(47)57-54)55-48-27-12-9-24-44(48)43-23-8-7-22-41(43)39-30-31-46-45-25-10-13-28-50(45)56(51(46)35-39)40-20-5-2-6-21-40/h1,3-4,10-11,13,15-17,19-20,22-23,25-26,28,30-31,34-35,37,47,52,55H,2,5-9,12,14,18,21,24,27,29,32-33H2
InChIKeyLQVPRYRDZYZMJB-UHFFFAOYSA-N
MW747.04 g/mol
LogP14.07
Rot. Bonds7

About N-[2-[6-[9-(cyclohexen-1-yl)carbazol-2-yl]cyclohexa-1,5-dien-1-yl]cyclohexen-1-yl]-1-(3-phenylcyclohexa-1,5-dien-1-yl)-2,3,5a,6,7,9a-hexahydrodibenzofuran-4-amine

N-[2-[6-[9-(cyclohexen-1-yl)carbazol-2-yl]cyclohexa-1,5-dien-1-yl]cyclohexen-1-yl]-1-(3-phenylcyclohexa-1,5-dien-1-yl)-2,3,5a,6,7,9a-hexahydrodibenzofuran-4-amine (PubChem CID 146490702) has the molecular formula C54H54N2O and a molecular weight of 747.04 g/mol. Its IUPAC name is N-[2-[6-[9-(cyclohexen-1-yl)carbazol-2-yl]cyclohexa-1,5-dien-1-yl]cyclohexen-1-yl]-1-(3-phenylcyclohexa-1,5-dien-1-yl)-2,3,5a,6,7,9a-hexahydrodibenzofuran-4-amine.

Molecular Properties

Compound NameN-[2-[6-[9-(cyclohexen-1-yl)carbazol-2-yl]cyclohexa-1,5-dien-1-yl]cyclohexen-1-yl]-1-(3-phenylcyclohexa-1,5-dien-1-yl)-2,3,5a,6,7,9a-hexahydrodibenzofuran-4-amine
PubChem CID146490702
Molecular FormulaC54H54N2O
Molecular Weight747.04 g/mol
Exact Mass746.42
IUPAC NameN-[2-[6-[9-(cyclohexen-1-yl)carbazol-2-yl]cyclohexa-1,5-dien-1-yl]cyclohexen-1-yl]-1-(3-phenylcyclohexa-1,5-dien-1-yl)-2,3,5a,6,7,9a-hexahydrodibenzofuran-4-amine
SMILESC1=CC2C3=C(C4=CC(c5ccccc5)CC=C4)CCC(NC4=C(C5=CCCC=C5c5ccc6c7ccccc7n(C7=CCCCC7)c6c5)CCCC4)=C3OC2CC1
InChIInChI=1S/C54H54N2O/c1-3-16-36(17-4-1)37-18-15-19-38(34-37)42-32-33-49(54-53(42)47-26-11-14-29-52(47)57-54)55-48-27-12-9-24-44(48)43-23-8-7-22-41(43)39-30-31-46-45-25-10-13-28-50(45)56(51(46)35-39)40-20-5-2-6-21-40/h1,3-4,10-11,13,15-17,19-20,22-23,25-26,28,30-31,34-35,37,47,52,55H,2,5-9,12,14,18,21,24,27,29,32-33H2
InChIKeyLQVPRYRDZYZMJB-UHFFFAOYSA-N
XLogP14.07
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500747.04
LogP ≤ 514.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-[6-[9-(cyclohexen-1-yl)carbazol-2-yl]cyclohexa-1,5-dien-1-yl]cyclohexen-1-yl]-1-(3-phenylcyclohexa-1,5-dien-1-yl)-2,3,5a,6,7,9a-hexahydrodibenzofuran-4-amine with MolForge

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Related Compounds

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9-[4-[2-(4-cyclohexa-2,4-dien-1-yl-N-(4-cyclohexa-1,5-dien-1-ylphenyl)anilino)-3,4-dihydrocarbazol-9-yl]phenyl]-N,N-bis(4-phenylphenyl)carbazol-2-amine
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CID 130217889
3-(9,9a-dihydro-4aH-carbazol-3-yl)-9-cyclohex-3-en-1-ylcarbazole
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9-[9-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)-6-(4-cyclohexa-2,4-dien-1-ylphenyl)-1,3,5-triazin-2-yl]-5a,9a-dihydrodibenzofuran-3-yl]-2-phenylcarbazole
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CID 23170334
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5-[1-[4-dibenzothiophen-4-yl-6-(9-phenyl-5,6-dihydrocarbazol-1-yl)-1,3,5-triazin-2-yl]-1,2,5a,6,7,9a-hexahydrodibenzofuran-4-yl]benzo[b]carbazole
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CID 134390677
3-[4-[10-[4-[9-(cyclohexen-1-yl)carbazol-3-yl]phenyl]-2,3,6,7-tetramethylanthracen-9-yl]phenyl]-9-(5-methylcyclohexa-1,3-dien-1-yl)carbazole
CID 163537418

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-[9-(cyclohexen-1-yl)carbazol-2-yl]cyclohexa-1,5-dien-1-yl]cyclohexen-1-yl]-1-(3-phenylcyclohexa-1,5-dien-1-yl)-2,3,5a,6,7,9a-hexahydrodibenzofuran-4-amine?
The IUPAC name of N-[2-[6-[9-(cyclohexen-1-yl)carbazol-2-yl]cyclohexa-1,5-dien-1-yl]cyclohexen-1-yl]-1-(3-phenylcyclohexa-1,5-dien-1-yl)-2,3,5a,6,7,9a-hexahydrodibenzofuran-4-amine (CID 146490702) is N-[2-[6-[9-(cyclohexen-1-yl)carbazol-2-yl]cyclohexa-1,5-dien-1-yl]cyclohexen-1-yl]-1-(3-phenylcyclohexa-1,5-dien-1-yl)-2,3,5a,6,7,9a-hexahydrodibenzofuran-4-amine.
What is the SMILES notation for N-[2-[6-[9-(cyclohexen-1-yl)carbazol-2-yl]cyclohexa-1,5-dien-1-yl]cyclohexen-1-yl]-1-(3-phenylcyclohexa-1,5-dien-1-yl)-2,3,5a,6,7,9a-hexahydrodibenzofuran-4-amine?
The canonical SMILES for N-[2-[6-[9-(cyclohexen-1-yl)carbazol-2-yl]cyclohexa-1,5-dien-1-yl]cyclohexen-1-yl]-1-(3-phenylcyclohexa-1,5-dien-1-yl)-2,3,5a,6,7,9a-hexahydrodibenzofuran-4-amine is C1=CC2C3=C(C4=CC(c5ccccc5)CC=C4)CCC(NC4=C(C5=CCCC=C5c5ccc6c7ccccc7n(C7=CCCCC7)c6c5)CCCC4)=C3OC2CC1.
What is the InChIKey of N-[2-[6-[9-(cyclohexen-1-yl)carbazol-2-yl]cyclohexa-1,5-dien-1-yl]cyclohexen-1-yl]-1-(3-phenylcyclohexa-1,5-dien-1-yl)-2,3,5a,6,7,9a-hexahydrodibenzofuran-4-amine?
The InChIKey is LQVPRYRDZYZMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H54N2O/c1-3-16-36(17-4-1)37-18-15-19-38(34-37)42-32-33-49(54-53(42)47-26-11-14-29-52(47)57-54)55-48-27-12-9-24-44(48)43-23-8-7-22-41(43)39-30-31-46-45-25-10-13-28-50(45)56(51(46)35-39)40-20-5-2-6-21-40/h1,3-4,10-11,13,15-17,19-20,22-23,25-26,28,30-31,34-35,37,47,52,55H,2,5-9,12,14,18,21,24,27,29,32-33H2.
What are the key properties of N-[2-[6-[9-(cyclohexen-1-yl)carbazol-2-yl]cyclohexa-1,5-dien-1-yl]cyclohexen-1-yl]-1-(3-phenylcyclohexa-1,5-dien-1-yl)-2,3,5a,6,7,9a-hexahydrodibenzofuran-4-amine?
N-[2-[6-[9-(cyclohexen-1-yl)carbazol-2-yl]cyclohexa-1,5-dien-1-yl]cyclohexen-1-yl]-1-(3-phenylcyclohexa-1,5-dien-1-yl)-2,3,5a,6,7,9a-hexahydrodibenzofuran-4-amine has a molecular weight of 747.04 g/mol, XLogP of 14.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-[9-(cyclohexen-1-yl)carbazol-2-yl]cyclohexa-1,5-dien-1-yl]cyclohexen-1-yl]-1-(3-phenylcyclohexa-1,5-dien-1-yl)-2,3,5a,6,7,9a-hexahydrodibenzofuran-4-amine is sourced from PubChem (CID 146490702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).