N-dibenzofuran-2-yl-11-phenyl-N-(3-phenylphenyl)-6b,10a-dihydrobenzo[a]carbazol-2-amine

C46H32N2O — CID 175614953

IUPACN-dibenzofuran-2-yl-11-phenyl-N-(3-phenylphenyl)-6b,10a-dihydrobenzo[a]carbazol-2-amine
SMILESC1=CC2c3ccc4ccc(N(c5cccc(-c6ccccc6)c5)c5ccc6oc7ccccc7c6c5)cc4c3N(c3ccccc3)C2C=C1
InChIInChI=1S/C46H32N2O/c1-3-12-31(13-4-1)33-14-11-17-35(28-33)47(37-25-27-45-42(30-37)39-19-8-10-21-44(39)49-45)36-24-22-32-23-26-40-38-18-7-9-20-43(38)48(46(40)41(32)29-36)34-15-5-2-6-16-34/h1-30,38,43H
InChIKeySVLJNEZDSQXMCH-UHFFFAOYSA-N
MW628.78 g/mol
LogP12.61
Rot. Bonds5

About N-dibenzofuran-2-yl-11-phenyl-N-(3-phenylphenyl)-6b,10a-dihydrobenzo[a]carbazol-2-amine

N-dibenzofuran-2-yl-11-phenyl-N-(3-phenylphenyl)-6b,10a-dihydrobenzo[a]carbazol-2-amine (PubChem CID 175614953) has the molecular formula C46H32N2O and a molecular weight of 628.78 g/mol. Its IUPAC name is N-dibenzofuran-2-yl-11-phenyl-N-(3-phenylphenyl)-6b,10a-dihydrobenzo[a]carbazol-2-amine.

Molecular Properties

Compound NameN-dibenzofuran-2-yl-11-phenyl-N-(3-phenylphenyl)-6b,10a-dihydrobenzo[a]carbazol-2-amine
PubChem CID175614953
Molecular FormulaC46H32N2O
Molecular Weight628.78 g/mol
Exact Mass628.25
IUPAC NameN-dibenzofuran-2-yl-11-phenyl-N-(3-phenylphenyl)-6b,10a-dihydrobenzo[a]carbazol-2-amine
SMILESC1=CC2c3ccc4ccc(N(c5cccc(-c6ccccc6)c5)c5ccc6oc7ccccc7c6c5)cc4c3N(c3ccccc3)C2C=C1
InChIInChI=1S/C46H32N2O/c1-3-12-31(13-4-1)33-14-11-17-35(28-33)47(37-25-27-45-42(30-37)39-19-8-10-21-44(39)49-45)36-24-22-32-23-26-40-38-18-7-9-20-43(38)48(46(40)41(32)29-36)34-15-5-2-6-16-34/h1-30,38,43H
InChIKeySVLJNEZDSQXMCH-UHFFFAOYSA-N
XLogP12.61
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.78
LogP ≤ 512.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 154947238
9-dibenzofuran-2-yl-8-[3-(3,5-diphenylphenyl)phenyl]-4a,9a-dihydrocarbazole
CID 70956943
N-(3,4-diphenylphenyl)-11-phenyl-N-(4-phenylphenyl)-6b,10a-dihydrobenzo[a]carbazol-3-amine
CID 175614803
N-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-2-amine
CID 174256841
N-[3-(3-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 121260620
N-phenyl-N-[3-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-2-amine
CID 170030263
9-naphthalen-2-yl-N-naphtho[2,3-b][1]benzofuran-1-yl-N-(3-phenylphenyl)-4b,8a-dihydrocarbazol-2-amine
CID 163940002
N-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]-N-(3-dibenzofuran-3-ylphenyl)-5-naphthalen-2-yl-2-phenylaniline
CID 167234495
N-(10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-yl)-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine
CID 170779636
3-dibenzofuran-2-yl-N,N-bis(4-phenylphenyl)aniline
CID 121327922
N-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-phenyldibenzofuran-2-amine
CID 174256821
4-phenyl-N-[4-(9-phenyl-4b,8a-dihydrocarbazol-2-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 131993919

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-2-yl-11-phenyl-N-(3-phenylphenyl)-6b,10a-dihydrobenzo[a]carbazol-2-amine?
The IUPAC name of N-dibenzofuran-2-yl-11-phenyl-N-(3-phenylphenyl)-6b,10a-dihydrobenzo[a]carbazol-2-amine (CID 175614953) is N-dibenzofuran-2-yl-11-phenyl-N-(3-phenylphenyl)-6b,10a-dihydrobenzo[a]carbazol-2-amine.
What is the SMILES notation for N-dibenzofuran-2-yl-11-phenyl-N-(3-phenylphenyl)-6b,10a-dihydrobenzo[a]carbazol-2-amine?
The canonical SMILES for N-dibenzofuran-2-yl-11-phenyl-N-(3-phenylphenyl)-6b,10a-dihydrobenzo[a]carbazol-2-amine is C1=CC2c3ccc4ccc(N(c5cccc(-c6ccccc6)c5)c5ccc6oc7ccccc7c6c5)cc4c3N(c3ccccc3)C2C=C1.
What is the InChIKey of N-dibenzofuran-2-yl-11-phenyl-N-(3-phenylphenyl)-6b,10a-dihydrobenzo[a]carbazol-2-amine?
The InChIKey is SVLJNEZDSQXMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N2O/c1-3-12-31(13-4-1)33-14-11-17-35(28-33)47(37-25-27-45-42(30-37)39-19-8-10-21-44(39)49-45)36-24-22-32-23-26-40-38-18-7-9-20-43(38)48(46(40)41(32)29-36)34-15-5-2-6-16-34/h1-30,38,43H.
What are the key properties of N-dibenzofuran-2-yl-11-phenyl-N-(3-phenylphenyl)-6b,10a-dihydrobenzo[a]carbazol-2-amine?
N-dibenzofuran-2-yl-11-phenyl-N-(3-phenylphenyl)-6b,10a-dihydrobenzo[a]carbazol-2-amine has a molecular weight of 628.78 g/mol, XLogP of 12.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-2-yl-11-phenyl-N-(3-phenylphenyl)-6b,10a-dihydrobenzo[a]carbazol-2-amine is sourced from PubChem (CID 175614953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).