4-(1-naphthalen-1-yl-9-phenylcarbazol-3-yl)-N,N-diphenylaniline

C46H32N2 — CID 172504626

IUPAC4-(1-naphthalen-1-yl-9-phenylcarbazol-3-yl)-N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3cc(-c4cccc5ccccc45)c4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C46H32N2/c1-4-17-36(18-5-1)47(37-19-6-2-7-20-37)39-29-27-33(28-30-39)35-31-43(41-25-14-16-34-15-10-11-23-40(34)41)46-44(32-35)42-24-12-13-26-45(42)48(46)38-21-8-3-9-22-38/h1-32H
InChIKeyGQWRTFMTFUPBGK-UHFFFAOYSA-N
MW612.78 g/mol
LogP12.74
Rot. Bonds6

About 4-(1-naphthalen-1-yl-9-phenylcarbazol-3-yl)-N,N-diphenylaniline

4-(1-naphthalen-1-yl-9-phenylcarbazol-3-yl)-N,N-diphenylaniline (PubChem CID 172504626) has the molecular formula C46H32N2 and a molecular weight of 612.78 g/mol. Its IUPAC name is 4-(1-naphthalen-1-yl-9-phenylcarbazol-3-yl)-N,N-diphenylaniline.

Molecular Properties

Compound Name4-(1-naphthalen-1-yl-9-phenylcarbazol-3-yl)-N,N-diphenylaniline
PubChem CID172504626
Molecular FormulaC46H32N2
Molecular Weight612.78 g/mol
Exact Mass612.26
IUPAC Name4-(1-naphthalen-1-yl-9-phenylcarbazol-3-yl)-N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3cc(-c4cccc5ccccc45)c4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C46H32N2/c1-4-17-36(18-5-1)47(37-19-6-2-7-20-37)39-29-27-33(28-30-39)35-31-43(41-25-14-16-34-15-10-11-23-40(34)41)46-44(32-35)42-24-12-13-26-45(42)48(46)38-21-8-3-9-22-38/h1-32H
InChIKeyGQWRTFMTFUPBGK-UHFFFAOYSA-N
XLogP12.74
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.78
LogP ≤ 512.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-carbazol-9-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline
CID 164790714
N-(4-carbazol-9-ylphenyl)-4-(4-naphthalen-1-yl-3-phenylphenyl)-N-phenylaniline
CID 167003310
3-carbazol-9-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 146578366
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 146578337
4-(3,8-dinaphthalen-1-yl-11,12-diphenylindolo[2,3-a]carbazol-5-yl)-N,N-diphenylaniline
CID 90126271
3-(1,9-diphenylcarbazol-4-yl)-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166659999
6-naphthalen-1-yl-1,3,9-triphenylcarbazole
CID 118448580
N-(4-carbazol-9-ylphenyl)-4-(8-naphthalen-1-ylnaphthalen-1-yl)-N-phenylaniline
CID 170380175
3-(2,9-diphenylcarbazol-4-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline
CID 166660501
N,4-diphenyl-N-[4-[8-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]aniline
CID 169016056
3-(9,10-diphenylphenanthren-2-yl)-N-(4-naphthalen-1-ylphenyl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline
CID 169063013
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[9-[2-[9-phenyl-6-[4-(4-phenyl-N-[4-[9-phenyl-8-[2-[3-[4-(N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino)phenyl]carbazol-9-yl]phenyl]carbazol-3-yl]phenyl]anilino)phenyl]carbazol-1-yl]phenyl]carbazol-3-yl]phenyl]naphthalen-1-amine
CID 163615768

Frequently Asked Questions

What is the IUPAC name of 4-(1-naphthalen-1-yl-9-phenylcarbazol-3-yl)-N,N-diphenylaniline?
The IUPAC name of 4-(1-naphthalen-1-yl-9-phenylcarbazol-3-yl)-N,N-diphenylaniline (CID 172504626) is 4-(1-naphthalen-1-yl-9-phenylcarbazol-3-yl)-N,N-diphenylaniline.
What is the SMILES notation for 4-(1-naphthalen-1-yl-9-phenylcarbazol-3-yl)-N,N-diphenylaniline?
The canonical SMILES for 4-(1-naphthalen-1-yl-9-phenylcarbazol-3-yl)-N,N-diphenylaniline is c1ccc(N(c2ccccc2)c2ccc(-c3cc(-c4cccc5ccccc45)c4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc1.
What is the InChIKey of 4-(1-naphthalen-1-yl-9-phenylcarbazol-3-yl)-N,N-diphenylaniline?
The InChIKey is GQWRTFMTFUPBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N2/c1-4-17-36(18-5-1)47(37-19-6-2-7-20-37)39-29-27-33(28-30-39)35-31-43(41-25-14-16-34-15-10-11-23-40(34)41)46-44(32-35)42-24-12-13-26-45(42)48(46)38-21-8-3-9-22-38/h1-32H.
What are the key properties of 4-(1-naphthalen-1-yl-9-phenylcarbazol-3-yl)-N,N-diphenylaniline?
4-(1-naphthalen-1-yl-9-phenylcarbazol-3-yl)-N,N-diphenylaniline has a molecular weight of 612.78 g/mol, XLogP of 12.74, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-naphthalen-1-yl-9-phenylcarbazol-3-yl)-N,N-diphenylaniline is sourced from PubChem (CID 172504626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).