9-[2-(6,7-dihydrodibenzofuran-2-yl)phenyl]-5,6,7,8-tetrahydrocarbazol-4-amine

C30H26N2O — CID 139566102

IUPAC9-[2-(6,7-dihydrodibenzofuran-2-yl)phenyl]-5,6,7,8-tetrahydrocarbazol-4-amine
SMILESNc1cccc2c1c1c(n2-c2ccccc2-c2ccc3oc4c(c3c2)C=CCC4)CCCC1
InChIInChI=1S/C30H26N2O/c31-24-11-7-14-27-30(24)22-10-2-5-13-26(22)32(27)25-12-4-1-8-20(25)19-16-17-29-23(18-19)21-9-3-6-15-28(21)33-29/h1,3-4,7-9,11-12,14,16-18H,2,5-6,10,13,15,31H2
InChIKeyAGPGURMJFKCHRF-UHFFFAOYSA-N
MW430.55 g/mol
LogP7.46
Rot. Bonds2

About 9-[2-(6,7-dihydrodibenzofuran-2-yl)phenyl]-5,6,7,8-tetrahydrocarbazol-4-amine

9-[2-(6,7-dihydrodibenzofuran-2-yl)phenyl]-5,6,7,8-tetrahydrocarbazol-4-amine (PubChem CID 139566102) has the molecular formula C30H26N2O and a molecular weight of 430.55 g/mol. Its IUPAC name is 9-[2-(6,7-dihydrodibenzofuran-2-yl)phenyl]-5,6,7,8-tetrahydrocarbazol-4-amine.

Molecular Properties

Compound Name9-[2-(6,7-dihydrodibenzofuran-2-yl)phenyl]-5,6,7,8-tetrahydrocarbazol-4-amine
PubChem CID139566102
Molecular FormulaC30H26N2O
Molecular Weight430.55 g/mol
Exact Mass430.20
IUPAC Name9-[2-(6,7-dihydrodibenzofuran-2-yl)phenyl]-5,6,7,8-tetrahydrocarbazol-4-amine
SMILESNc1cccc2c1c1c(n2-c2ccccc2-c2ccc3oc4c(c3c2)C=CCC4)CCCC1
InChIInChI=1S/C30H26N2O/c31-24-11-7-14-27-30(24)22-10-2-5-13-26(22)32(27)25-12-4-1-8-20(25)19-16-17-29-23(18-19)21-9-3-6-15-28(21)33-29/h1,3-4,7-9,11-12,14,16-18H,2,5-6,10,13,15,31H2
InChIKeyAGPGURMJFKCHRF-UHFFFAOYSA-N
XLogP7.46
TPSA44.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.55
LogP ≤ 57.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9-(6,7-dihydrodibenzofuran-2-yl)-3-[3-[9-(6,7-dihydrodibenzofuran-2-yl)carbazol-3-yl]phenyl]carbazole
CID 144541028
4-dibenzofuran-2-yl-9-(4-dibenzofuran-4-ylphenyl)-5-(6,7-dihydrodibenzofuran-2-yl)-2,3-dihydrocarbazole
CID 154970662
4-[9-[6-(6,7-dihydrodibenzofuran-3-yl)-4-phenyl-2-pyridinyl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 166737490
9-[18-[3-(8-phenyldibenzofuran-2-yl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-8-yl]-1,2-dihydrocarbazole
CID 67953551
N-[3-[9-(6,7-dihydrodibenzofuran-2-yl)carbazol-4-yl]phenyl]-N-(4-phenanthren-2-ylphenyl)-2-phenylaniline
CID 163703203
9-(9-dibenzofuran-2-yldibenzofuran-1-yl)carbazole
CID 170276500
2-[6-(9-oxo-5,6-dihydroxanthen-2-yl)dibenzothiophen-4-yl]xanthen-9-one
CID 123670275
7-[3-dibenzofuran-4-yl-5-(3,5-diphenylphenyl)phenyl]-3,4-dihydro-[1]benzofuro[2,3-b]carbazole
CID 142380457
3-dibenzofuran-4-yl-6-(6,7-dihydrodibenzofuran-4-yl)-9-(3-triphenylen-2-ylphenyl)carbazole
CID 88573967
2-[3-(6,7-dihydrodibenzofuran-2-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 174327481
2-[5-(6,7-dihydrodibenzofuran-1-yl)naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 170424026
4-dibenzofuran-2-yl-5-(3,4-dihydrodibenzofuran-2-yl)-9-(4-phenylphenyl)carbazole
CID 154970898

Frequently Asked Questions

What is the IUPAC name of 9-[2-(6,7-dihydrodibenzofuran-2-yl)phenyl]-5,6,7,8-tetrahydrocarbazol-4-amine?
The IUPAC name of 9-[2-(6,7-dihydrodibenzofuran-2-yl)phenyl]-5,6,7,8-tetrahydrocarbazol-4-amine (CID 139566102) is 9-[2-(6,7-dihydrodibenzofuran-2-yl)phenyl]-5,6,7,8-tetrahydrocarbazol-4-amine.
What is the SMILES notation for 9-[2-(6,7-dihydrodibenzofuran-2-yl)phenyl]-5,6,7,8-tetrahydrocarbazol-4-amine?
The canonical SMILES for 9-[2-(6,7-dihydrodibenzofuran-2-yl)phenyl]-5,6,7,8-tetrahydrocarbazol-4-amine is Nc1cccc2c1c1c(n2-c2ccccc2-c2ccc3oc4c(c3c2)C=CCC4)CCCC1.
What is the InChIKey of 9-[2-(6,7-dihydrodibenzofuran-2-yl)phenyl]-5,6,7,8-tetrahydrocarbazol-4-amine?
The InChIKey is AGPGURMJFKCHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N2O/c31-24-11-7-14-27-30(24)22-10-2-5-13-26(22)32(27)25-12-4-1-8-20(25)19-16-17-29-23(18-19)21-9-3-6-15-28(21)33-29/h1,3-4,7-9,11-12,14,16-18H,2,5-6,10,13,15,31H2.
What are the key properties of 9-[2-(6,7-dihydrodibenzofuran-2-yl)phenyl]-5,6,7,8-tetrahydrocarbazol-4-amine?
9-[2-(6,7-dihydrodibenzofuran-2-yl)phenyl]-5,6,7,8-tetrahydrocarbazol-4-amine has a molecular weight of 430.55 g/mol, XLogP of 7.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(6,7-dihydrodibenzofuran-2-yl)phenyl]-5,6,7,8-tetrahydrocarbazol-4-amine is sourced from PubChem (CID 139566102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).