N-[3-(7-phenyl-6a,11b-dihydrobenzo[c]carbazol-10-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-2-amine

C52H36N2O — CID 166847729

IUPACN-[3-(7-phenyl-6a,11b-dihydrobenzo[c]carbazol-10-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-2-amine
SMILESC1=CC2C(c3ccccc31)c1cc(-c3cccc(N(c4ccc5oc6ccccc6c5c4)c4ccccc4-c4ccccc4)c3)ccc1N2c1ccccc1
InChIInChI=1S/C52H36N2O/c1-3-14-35(15-4-1)42-21-9-11-24-47(42)53(41-28-31-51-45(34-41)44-23-10-12-25-50(44)55-51)40-20-13-17-37(32-40)38-27-29-48-46(33-38)52-43-22-8-7-16-36(43)26-30-49(52)54(48)39-18-5-2-6-19-39/h1-34,49,52H
InChIKeyXONQSORKXLYMRG-UHFFFAOYSA-N
MW704.87 g/mol
LogP14.07
Rot. Bonds6

About N-[3-(7-phenyl-6a,11b-dihydrobenzo[c]carbazol-10-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-2-amine

N-[3-(7-phenyl-6a,11b-dihydrobenzo[c]carbazol-10-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-2-amine (PubChem CID 166847729) has the molecular formula C52H36N2O and a molecular weight of 704.87 g/mol. Its IUPAC name is N-[3-(7-phenyl-6a,11b-dihydrobenzo[c]carbazol-10-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-2-amine.

Molecular Properties

Compound NameN-[3-(7-phenyl-6a,11b-dihydrobenzo[c]carbazol-10-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-2-amine
PubChem CID166847729
Molecular FormulaC52H36N2O
Molecular Weight704.87 g/mol
Exact Mass704.28
IUPAC NameN-[3-(7-phenyl-6a,11b-dihydrobenzo[c]carbazol-10-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-2-amine
SMILESC1=CC2C(c3ccccc31)c1cc(-c3cccc(N(c4ccc5oc6ccccc6c5c4)c4ccccc4-c4ccccc4)c3)ccc1N2c1ccccc1
InChIInChI=1S/C52H36N2O/c1-3-14-35(15-4-1)42-21-9-11-24-47(42)53(41-28-31-51-45(34-41)44-23-10-12-25-50(44)55-51)40-20-13-17-37(32-40)38-27-29-48-46(33-38)52-43-22-8-7-16-36(43)26-30-49(52)54(48)39-18-5-2-6-19-39/h1-34,49,52H
InChIKeyXONQSORKXLYMRG-UHFFFAOYSA-N
XLogP14.07
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.87
LogP ≤ 514.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-dibenzofuran-2-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-2-amine
CID 167325738
N-(3-dibenzofuran-2-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-2-amine
CID 170300509
N-dibenzofuran-2-yl-5,9-diphenyl-N-(2-phenylphenyl)carbazol-3-amine
CID 169010488
2-dibenzofuran-2-yl-N-(3-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline
CID 167323911
N-(4-dibenzofuran-4-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 122675345
N-(3-dibenzofuran-2-ylphenyl)-N-[3-(9-phenylcarbazol-3-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170298779
1-N-dibenzofuran-2-yl-1-N,5-N-diphenyl-5-N-(4-phenylphenyl)naphthalene-1,5-diamine
CID 166917710
N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-3-ylphenyl)-2-phenylaniline
CID 153314795
N-[3-(22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaen-4-yl)phenyl]-N,2-diphenylaniline
CID 167121314
N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 172503040
N-dibenzofuran-2-yl-11-phenyl-N-(2-phenylphenyl)benzo[a]carbazol-9-amine
CID 166847905
N-[4-(7-phenylbenzo[c]carbazol-2-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-2-amine
CID 166847555

Frequently Asked Questions

What is the IUPAC name of N-[3-(7-phenyl-6a,11b-dihydrobenzo[c]carbazol-10-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-2-amine?
The IUPAC name of N-[3-(7-phenyl-6a,11b-dihydrobenzo[c]carbazol-10-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-2-amine (CID 166847729) is N-[3-(7-phenyl-6a,11b-dihydrobenzo[c]carbazol-10-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-2-amine.
What is the SMILES notation for N-[3-(7-phenyl-6a,11b-dihydrobenzo[c]carbazol-10-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-2-amine?
The canonical SMILES for N-[3-(7-phenyl-6a,11b-dihydrobenzo[c]carbazol-10-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-2-amine is C1=CC2C(c3ccccc31)c1cc(-c3cccc(N(c4ccc5oc6ccccc6c5c4)c4ccccc4-c4ccccc4)c3)ccc1N2c1ccccc1.
What is the InChIKey of N-[3-(7-phenyl-6a,11b-dihydrobenzo[c]carbazol-10-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-2-amine?
The InChIKey is XONQSORKXLYMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N2O/c1-3-14-35(15-4-1)42-21-9-11-24-47(42)53(41-28-31-51-45(34-41)44-23-10-12-25-50(44)55-51)40-20-13-17-37(32-40)38-27-29-48-46(33-38)52-43-22-8-7-16-36(43)26-30-49(52)54(48)39-18-5-2-6-19-39/h1-34,49,52H.
What are the key properties of N-[3-(7-phenyl-6a,11b-dihydrobenzo[c]carbazol-10-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-2-amine?
N-[3-(7-phenyl-6a,11b-dihydrobenzo[c]carbazol-10-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-2-amine has a molecular weight of 704.87 g/mol, XLogP of 14.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(7-phenyl-6a,11b-dihydrobenzo[c]carbazol-10-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-2-amine is sourced from PubChem (CID 166847729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).