N-(4-phenylphenyl)-N-[2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)phenyl]naphthalen-2-amine

C46H32N2 — CID 165383948

IUPACN-(4-phenylphenyl)-N-[2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)phenyl]naphthalen-2-amine
SMILES[2H]c1c([2H])c(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c([2H])c(N(c2ccc(-c3ccccc3)cc2)c2ccc3ccccc3c2)c1[2H]
InChIInChI=1S/C46H32N2/c1-3-12-33(13-4-1)35-22-26-40(27-23-35)47(42-28-24-34-14-7-8-15-36(34)30-42)41-19-11-16-37(31-41)38-25-29-46-44(32-38)43-20-9-10-21-45(43)48(46)39-17-5-2-6-18-39/h1-32H/i11D,16D,19D,31D
InChIKeyCMRXWEFYPCSPCC-FWGPGDPBSA-N
MW616.80 g/mol
LogP12.74
Rot. Bonds6

About N-(4-phenylphenyl)-N-[2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)phenyl]naphthalen-2-amine

N-(4-phenylphenyl)-N-[2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)phenyl]naphthalen-2-amine (PubChem CID 165383948) has the molecular formula C46H32N2 and a molecular weight of 616.80 g/mol. Its IUPAC name is N-(4-phenylphenyl)-N-[2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)phenyl]naphthalen-2-amine.

Molecular Properties

Compound NameN-(4-phenylphenyl)-N-[2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)phenyl]naphthalen-2-amine
PubChem CID165383948
Molecular FormulaC46H32N2
Molecular Weight616.80 g/mol
Exact Mass616.28
IUPAC NameN-(4-phenylphenyl)-N-[2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)phenyl]naphthalen-2-amine
SMILES[2H]c1c([2H])c(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c([2H])c(N(c2ccc(-c3ccccc3)cc2)c2ccc3ccccc3c2)c1[2H]
InChIInChI=1S/C46H32N2/c1-3-12-33(13-4-1)35-22-26-40(27-23-35)47(42-28-24-34-14-7-8-15-36(34)30-42)41-19-11-16-37(31-41)38-25-29-46-44(32-38)43-20-9-10-21-45(43)48(46)39-17-5-2-6-18-39/h1-32H/i11D,16D,19D,31D
InChIKeyCMRXWEFYPCSPCC-FWGPGDPBSA-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 ≤ 500616.80
LogP ≤ 512.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
CID 165384039
N-(4-naphthalen-2-ylphenyl)-6-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 166956432
2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline
CID 165384192
2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline;2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline
CID 167679487
N-(4-naphthalen-2-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 166956515
2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N,N-bis[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline
CID 165384217
N-[4-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 118103057
N-(4-carbazol-9-ylphenyl)-4-[6-(4-naphthalen-2-ylphenyl)-9-phenylcarbazol-3-yl]-N-phenylaniline
CID 59501688
2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline;2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-[2,3,4-trideuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline
CID 167606755
bis(1-N,3-N-dinaphthalen-2-yl-1-N,3-N-bis(4-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine);1-N,3-N-diphenyl-1-N,3-N-bis(4-phenylphenyl)-5-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetraphenyl-5-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]benzene-1,3-diamine
CID 159121295
N-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 174258329
N-(4-naphthalen-2-ylphenyl)-4-[4-(10-phenylanthracen-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 59288195

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylphenyl)-N-[2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)phenyl]naphthalen-2-amine?
The IUPAC name of N-(4-phenylphenyl)-N-[2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)phenyl]naphthalen-2-amine (CID 165383948) is N-(4-phenylphenyl)-N-[2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)phenyl]naphthalen-2-amine.
What is the SMILES notation for N-(4-phenylphenyl)-N-[2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)phenyl]naphthalen-2-amine?
The canonical SMILES for N-(4-phenylphenyl)-N-[2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)phenyl]naphthalen-2-amine is [2H]c1c([2H])c(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c([2H])c(N(c2ccc(-c3ccccc3)cc2)c2ccc3ccccc3c2)c1[2H].
What is the InChIKey of N-(4-phenylphenyl)-N-[2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)phenyl]naphthalen-2-amine?
The InChIKey is CMRXWEFYPCSPCC-FWGPGDPBSA-N. The full InChI is InChI=1S/C46H32N2/c1-3-12-33(13-4-1)35-22-26-40(27-23-35)47(42-28-24-34-14-7-8-15-36(34)30-42)41-19-11-16-37(31-41)38-25-29-46-44(32-38)43-20-9-10-21-45(43)48(46)39-17-5-2-6-18-39/h1-32H/i11D,16D,19D,31D.
What are the key properties of N-(4-phenylphenyl)-N-[2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)phenyl]naphthalen-2-amine?
N-(4-phenylphenyl)-N-[2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)phenyl]naphthalen-2-amine has a molecular weight of 616.80 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 N-(4-phenylphenyl)-N-[2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)phenyl]naphthalen-2-amine is sourced from PubChem (CID 165383948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).