N-(4-dibenzofuran-1-ylphenyl)-7-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]carbazol-3-amine

C62H40N2O — CID 169285156

IUPACN-(4-dibenzofuran-1-ylphenyl)-7-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]carbazol-3-amine
SMILESc1ccc(-c2cccc3cccc(-c4ccc(N(c5ccc(-c6cccc7oc8ccccc8c67)cc5)c5ccc6c(ccc7c6c6ccccc6n7-c6ccccc6)c5)cc4)c23)cc1
InChIInChI=1S/C62H40N2O/c1-3-14-41(15-4-1)50-22-11-16-44-17-12-23-51(60(44)50)42-28-33-47(34-29-42)63(48-35-30-43(31-36-48)52-24-13-27-59-62(52)55-21-8-10-26-58(55)65-59)49-37-38-53-45(40-49)32-39-57-61(53)54-20-7-9-25-56(54)64(57)46-18-5-2-6-19-46/h1-40H
InChIKeyKCNQNHWKNXKVEC-UHFFFAOYSA-N
MW829.02 g/mol
LogP17.46
Rot. Bonds7

About N-(4-dibenzofuran-1-ylphenyl)-7-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]carbazol-3-amine

N-(4-dibenzofuran-1-ylphenyl)-7-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]carbazol-3-amine (PubChem CID 169285156) has the molecular formula C62H40N2O and a molecular weight of 829.02 g/mol. Its IUPAC name is N-(4-dibenzofuran-1-ylphenyl)-7-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]carbazol-3-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-1-ylphenyl)-7-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]carbazol-3-amine
PubChem CID169285156
Molecular FormulaC62H40N2O
Molecular Weight829.02 g/mol
Exact Mass828.31
IUPAC NameN-(4-dibenzofuran-1-ylphenyl)-7-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]carbazol-3-amine
SMILESc1ccc(-c2cccc3cccc(-c4ccc(N(c5ccc(-c6cccc7oc8ccccc8c67)cc5)c5ccc6c(ccc7c6c6ccccc6n7-c6ccccc6)c5)cc4)c23)cc1
InChIInChI=1S/C62H40N2O/c1-3-14-41(15-4-1)50-22-11-16-44-17-12-23-51(60(44)50)42-28-33-47(34-29-42)63(48-35-30-43(31-36-48)52-24-13-27-59-62(52)55-21-8-10-26-58(55)65-59)49-37-38-53-45(40-49)32-39-57-61(53)54-20-7-9-25-56(54)64(57)46-18-5-2-6-19-46/h1-40H
InChIKeyKCNQNHWKNXKVEC-UHFFFAOYSA-N
XLogP17.46
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500829.02
LogP ≤ 517.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-dibenzofuran-1-ylphenyl)-N,5,9-triphenylcarbazol-2-amine
CID 169010360
N-(4-carbazol-9-ylphenyl)-N-[4-[7-[9-[4-(4-dibenzofuran-1-yl-N-phenanthren-3-ylanilino)phenyl]carbazol-4-yl]dibenzofuran-1-yl]phenyl]phenanthren-2-amine
CID 155398221
N-[4-(3-carbazol-9-ylphenyl)phenyl]-7-dibenzofuran-1-yl-N-(4-phenylphenyl)phenanthren-2-amine
CID 155398710
N-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-1-ylphenyl)phenanthren-2-amine
CID 155397942
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)naphthalen-2-amine
CID 155398648
N-[4-(4-carbazol-9-ylphenyl)phenyl]-7-dibenzofuran-1-yl-N-(3-phenylphenyl)phenanthren-2-amine
CID 155398335
N-(4-naphthalen-1-ylphenyl)-N-phenyl-3-(7-phenylbenzo[c]carbazol-3-yl)aniline
CID 170177898
4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170379960
N-phenyl-N-[4-[8-(9-phenylcarbazol-4-yl)naphthalen-1-yl]phenyl]naphthalen-2-amine
CID 169016163
3-carbazol-9-yl-N-(4-dibenzofuran-1-ylphenyl)-N-phenylaniline
CID 155397910
N-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(3-dibenzofuran-1-ylphenyl)phenyl]naphthalen-2-amine
CID 155649331
2-dibenzofuran-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170298543

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-7-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]carbazol-3-amine?
The IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-7-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]carbazol-3-amine (CID 169285156) is N-(4-dibenzofuran-1-ylphenyl)-7-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]carbazol-3-amine.
What is the SMILES notation for N-(4-dibenzofuran-1-ylphenyl)-7-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]carbazol-3-amine?
The canonical SMILES for N-(4-dibenzofuran-1-ylphenyl)-7-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]carbazol-3-amine is c1ccc(-c2cccc3cccc(-c4ccc(N(c5ccc(-c6cccc7oc8ccccc8c67)cc5)c5ccc6c(ccc7c6c6ccccc6n7-c6ccccc6)c5)cc4)c23)cc1.
What is the InChIKey of N-(4-dibenzofuran-1-ylphenyl)-7-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]carbazol-3-amine?
The InChIKey is KCNQNHWKNXKVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H40N2O/c1-3-14-41(15-4-1)50-22-11-16-44-17-12-23-51(60(44)50)42-28-33-47(34-29-42)63(48-35-30-43(31-36-48)52-24-13-27-59-62(52)55-21-8-10-26-58(55)65-59)49-37-38-53-45(40-49)32-39-57-61(53)54-20-7-9-25-56(54)64(57)46-18-5-2-6-19-46/h1-40H.
What are the key properties of N-(4-dibenzofuran-1-ylphenyl)-7-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]carbazol-3-amine?
N-(4-dibenzofuran-1-ylphenyl)-7-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]carbazol-3-amine has a molecular weight of 829.02 g/mol, XLogP of 17.46, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-1-ylphenyl)-7-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]carbazol-3-amine is sourced from PubChem (CID 169285156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).