N-(2-carbazol-9-ylphenyl)-7-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]carbazol-10-amine

C62H41N3 — CID 169285459

IUPACN-(2-carbazol-9-ylphenyl)-7-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]carbazol-10-amine
SMILESc1ccc(-c2cccc3cccc(-c4ccc(N(c5ccc6c(c5)c5c7ccccc7ccc5n6-c5ccccc5)c5ccccc5-n5c6ccccc6c6ccccc65)cc4)c23)cc1
InChIInChI=1S/C62H41N3/c1-3-17-42(18-4-1)49-27-15-20-45-21-16-28-50(61(45)49)44-33-36-47(37-34-44)63(58-31-13-14-32-59(58)65-55-29-11-9-25-52(55)53-26-10-12-30-56(53)65)48-38-40-57-54(41-48)62-51-24-8-7-19-43(51)35-39-60(62)64(57)46-22-5-2-6-23-46/h1-41H
InChIKeyDGPXTAKIDZRYAC-UHFFFAOYSA-N
MW828.03 g/mol
LogP16.99
Rot. Bonds7

About N-(2-carbazol-9-ylphenyl)-7-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]carbazol-10-amine

N-(2-carbazol-9-ylphenyl)-7-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]carbazol-10-amine (PubChem CID 169285459) has the molecular formula C62H41N3 and a molecular weight of 828.03 g/mol. Its IUPAC name is N-(2-carbazol-9-ylphenyl)-7-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]carbazol-10-amine.

Molecular Properties

Compound NameN-(2-carbazol-9-ylphenyl)-7-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]carbazol-10-amine
PubChem CID169285459
Molecular FormulaC62H41N3
Molecular Weight828.03 g/mol
Exact Mass827.33
IUPAC NameN-(2-carbazol-9-ylphenyl)-7-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]carbazol-10-amine
SMILESc1ccc(-c2cccc3cccc(-c4ccc(N(c5ccc6c(c5)c5c7ccccc7ccc5n6-c5ccccc5)c5ccccc5-n5c6ccccc6c6ccccc65)cc4)c23)cc1
InChIInChI=1S/C62H41N3/c1-3-17-42(18-4-1)49-27-15-20-45-21-16-28-50(61(45)49)44-33-36-47(37-34-44)63(58-31-13-14-32-59(58)65-55-29-11-9-25-52(55)53-26-10-12-30-56(53)65)48-38-40-57-54(41-48)62-51-24-8-7-19-43(51)35-39-60(62)64(57)46-22-5-2-6-23-46/h1-41H
InChIKeyDGPXTAKIDZRYAC-UHFFFAOYSA-N
XLogP16.99
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500828.03
LogP ≤ 516.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-naphthalen-1-ylphenyl)-7-phenyl-N-(2-phenylphenyl)benzo[c]carbazol-10-amine
CID 166847541
N-naphthalen-1-yl-5,9-diphenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 169010104
N-(4-carbazol-9-ylphenyl)-9-naphthalen-1-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]carbazol-4-amine
CID 170379906
9-naphthalen-1-yl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-(2-phenylphenyl)carbazol-2-amine
CID 170286785
5-(1-phenylbenzo[c]carbazol-7-yl)-N,N-bis(4-phenylphenyl)naphthalen-1-amine
CID 177100828
7-phenyl-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]benzo[c]carbazol-2-amine
CID 155034262
N-(4-carbazol-9-ylphenyl)-5,9-diphenyl-N-(2-phenylphenyl)carbazol-3-amine
CID 169010216
N-(4-naphthalen-1-ylphenyl)-N-phenyl-7-(2-phenylphenyl)benzo[c]carbazol-2-amine;N-(4-naphthalen-1-ylphenyl)-7-phenyl-N-(4-phenylphenyl)benzo[c]carbazol-2-amine
CID 165001412
N,N-bis(4-naphthalen-1-ylphenyl)-9-phenylcarbazol-3-amine;N,N-bis(4-naphthalen-2-ylphenyl)-9-phenylcarbazol-4-amine;9-naphthalen-1-yl-N,N-bis(4-naphthalen-1-ylphenyl)carbazol-4-amine;N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-9-phenylcarbazol-3-amine
CID 157362791
N,2-diphenyl-N-[4-[8-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]aniline
CID 169016116
N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]carbazol-4-amine
CID 168835696
N-[4-(2-benzo[c]carbazol-7-ylphenyl)phenyl]-2-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166897163

Frequently Asked Questions

What is the IUPAC name of N-(2-carbazol-9-ylphenyl)-7-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]carbazol-10-amine?
The IUPAC name of N-(2-carbazol-9-ylphenyl)-7-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]carbazol-10-amine (CID 169285459) is N-(2-carbazol-9-ylphenyl)-7-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]carbazol-10-amine.
What is the SMILES notation for N-(2-carbazol-9-ylphenyl)-7-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]carbazol-10-amine?
The canonical SMILES for N-(2-carbazol-9-ylphenyl)-7-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]carbazol-10-amine is c1ccc(-c2cccc3cccc(-c4ccc(N(c5ccc6c(c5)c5c7ccccc7ccc5n6-c5ccccc5)c5ccccc5-n5c6ccccc6c6ccccc65)cc4)c23)cc1.
What is the InChIKey of N-(2-carbazol-9-ylphenyl)-7-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]carbazol-10-amine?
The InChIKey is DGPXTAKIDZRYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H41N3/c1-3-17-42(18-4-1)49-27-15-20-45-21-16-28-50(61(45)49)44-33-36-47(37-34-44)63(58-31-13-14-32-59(58)65-55-29-11-9-25-52(55)53-26-10-12-30-56(53)65)48-38-40-57-54(41-48)62-51-24-8-7-19-43(51)35-39-60(62)64(57)46-22-5-2-6-23-46/h1-41H.
What are the key properties of N-(2-carbazol-9-ylphenyl)-7-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]carbazol-10-amine?
N-(2-carbazol-9-ylphenyl)-7-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]carbazol-10-amine has a molecular weight of 828.03 g/mol, XLogP of 16.99, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbazol-9-ylphenyl)-7-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]carbazol-10-amine is sourced from PubChem (CID 169285459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).