N-[4-(2-benzo[a]carbazol-11-ylphenyl)phenyl]-2,3,4,5,6-pentadeuterio-N-(4-phenylphenyl)aniline

C46H32N2 — CID 140854387

IUPACN-[4-(2-benzo[a]carbazol-11-ylphenyl)phenyl]-2,3,4,5,6-pentadeuterio-N-(4-phenylphenyl)aniline
SMILES[2H]c1c([2H])c([2H])c(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3-n3c4ccccc4c4ccc5ccccc5c43)cc2)c([2H])c1[2H]
InChIInChI=1S/C46H32N2/c1-3-13-33(14-4-1)34-23-28-38(29-24-34)47(37-16-5-2-6-17-37)39-30-25-36(26-31-39)40-18-9-11-21-44(40)48-45-22-12-10-20-42(45)43-32-27-35-15-7-8-19-41(35)46(43)48/h1-32H/i2D,5D,6D,16D,17D
InChIKeyYFIGIBMEZZSZAV-KZKSKIOJSA-N
MW617.81 g/mol
LogP12.74
Rot. Bonds6

About N-[4-(2-benzo[a]carbazol-11-ylphenyl)phenyl]-2,3,4,5,6-pentadeuterio-N-(4-phenylphenyl)aniline

N-[4-(2-benzo[a]carbazol-11-ylphenyl)phenyl]-2,3,4,5,6-pentadeuterio-N-(4-phenylphenyl)aniline (PubChem CID 140854387) has the molecular formula C46H32N2 and a molecular weight of 617.81 g/mol. Its IUPAC name is N-[4-(2-benzo[a]carbazol-11-ylphenyl)phenyl]-2,3,4,5,6-pentadeuterio-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(2-benzo[a]carbazol-11-ylphenyl)phenyl]-2,3,4,5,6-pentadeuterio-N-(4-phenylphenyl)aniline
PubChem CID140854387
Molecular FormulaC46H32N2
Molecular Weight617.81 g/mol
Exact Mass617.29
IUPAC NameN-[4-(2-benzo[a]carbazol-11-ylphenyl)phenyl]-2,3,4,5,6-pentadeuterio-N-(4-phenylphenyl)aniline
SMILES[2H]c1c([2H])c([2H])c(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3-n3c4ccccc4c4ccc5ccccc5c43)cc2)c([2H])c1[2H]
InChIInChI=1S/C46H32N2/c1-3-13-33(14-4-1)34-23-28-38(29-24-34)47(37-16-5-2-6-17-37)39-30-25-36(26-31-39)40-18-9-11-21-44(40)48-45-22-12-10-20-42(45)43-32-27-35-15-7-8-19-41(35)46(43)48/h1-32H/i2D,5D,6D,16D,17D
InChIKeyYFIGIBMEZZSZAV-KZKSKIOJSA-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 ≤ 500617.81
LogP ≤ 512.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline
CID 162491110
N-[4-(2-benzo[a]carbazol-11-ylphenyl)phenyl]-N-(4-fluoranthen-2-ylphenyl)-3-phenylaniline
CID 170926863
N,N-bis[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-[4-[11-(4-phenylphenyl)benzo[a]carbazol-9-yl]phenyl]aniline
CID 129287020
N-[4-(2-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 134380712
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(2-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline
CID 167322510
N-[4-[4-(2-benzo[c]carbazol-7-ylphenyl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 167322316
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-4-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 168798366
2,3,4,5,6-pentadeuterio-N-[4-[2-[9-(3,5-diphenylphenyl)carbazol-2-yl]phenyl]phenyl]-N-phenylaniline
CID 126628010
5-benzo[a]carbazol-11-yl-N,N-bis(4-phenylphenyl)naphthalen-1-amine
CID 167038449
N-(4-benzo[a]carbazol-11-ylphenyl)-2-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167038156
2,3,5,6-tetradeuterio-4-(9-naphthalen-1-ylcarbazol-3-yl)-N-[4-(2-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 165383932
2,3,5,6-tetradeuterio-N-(4-phenylphenyl)-4-[9-(2-phenylphenyl)carbazol-3-yl]-N-[2,3,5,6-tetradeuterio-4-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline
CID 165384132

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-benzo[a]carbazol-11-ylphenyl)phenyl]-2,3,4,5,6-pentadeuterio-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-(2-benzo[a]carbazol-11-ylphenyl)phenyl]-2,3,4,5,6-pentadeuterio-N-(4-phenylphenyl)aniline (CID 140854387) is N-[4-(2-benzo[a]carbazol-11-ylphenyl)phenyl]-2,3,4,5,6-pentadeuterio-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-(2-benzo[a]carbazol-11-ylphenyl)phenyl]-2,3,4,5,6-pentadeuterio-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-(2-benzo[a]carbazol-11-ylphenyl)phenyl]-2,3,4,5,6-pentadeuterio-N-(4-phenylphenyl)aniline is [2H]c1c([2H])c([2H])c(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3-n3c4ccccc4c4ccc5ccccc5c43)cc2)c([2H])c1[2H].
What is the InChIKey of N-[4-(2-benzo[a]carbazol-11-ylphenyl)phenyl]-2,3,4,5,6-pentadeuterio-N-(4-phenylphenyl)aniline?
The InChIKey is YFIGIBMEZZSZAV-KZKSKIOJSA-N. The full InChI is InChI=1S/C46H32N2/c1-3-13-33(14-4-1)34-23-28-38(29-24-34)47(37-16-5-2-6-17-37)39-30-25-36(26-31-39)40-18-9-11-21-44(40)48-45-22-12-10-20-42(45)43-32-27-35-15-7-8-19-41(35)46(43)48/h1-32H/i2D,5D,6D,16D,17D.
What are the key properties of N-[4-(2-benzo[a]carbazol-11-ylphenyl)phenyl]-2,3,4,5,6-pentadeuterio-N-(4-phenylphenyl)aniline?
N-[4-(2-benzo[a]carbazol-11-ylphenyl)phenyl]-2,3,4,5,6-pentadeuterio-N-(4-phenylphenyl)aniline has a molecular weight of 617.81 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-(2-benzo[a]carbazol-11-ylphenyl)phenyl]-2,3,4,5,6-pentadeuterio-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 140854387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).