2,3,5,6-tetradeuterio-N,N-bis(4-phenylphenyl)-4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]aniline

C67H46N2 — CID 167334215

IUPAC2,3,5,6-tetradeuterio-N,N-bis(4-phenylphenyl)-4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]aniline
SMILES[2H]c1c([2H])c(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)c([2H])c([2H])c1-c1ccc2c(c1)c1cc(C3(c4ccccc4)c4ccccc4-c4ccccc43)ccc1n2-c1ccccc1
InChIInChI=1S/C67H46N2/c1-5-17-47(18-6-1)49-29-37-56(38-30-49)68(57-39-31-50(32-40-57)48-19-7-2-8-20-48)58-41-33-51(34-42-58)52-35-43-65-61(45-52)62-46-54(36-44-66(62)69(65)55-23-11-4-12-24-55)67(53-21-9-3-10-22-53)63-27-15-13-25-59(63)60-26-14-16-28-64(60)67/h1-46H/i33D,34D,41D,42D
InChIKeyDSAWRFCNGKOKDA-CYKDLDSFSA-N
MW883.14 g/mol
LogP17.62
Rot. Bonds9

About 2,3,5,6-tetradeuterio-N,N-bis(4-phenylphenyl)-4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]aniline

2,3,5,6-tetradeuterio-N,N-bis(4-phenylphenyl)-4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]aniline (PubChem CID 167334215) has the molecular formula C67H46N2 and a molecular weight of 883.14 g/mol. Its IUPAC name is 2,3,5,6-tetradeuterio-N,N-bis(4-phenylphenyl)-4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]aniline.

Molecular Properties

Compound Name2,3,5,6-tetradeuterio-N,N-bis(4-phenylphenyl)-4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]aniline
PubChem CID167334215
Molecular FormulaC67H46N2
Molecular Weight883.14 g/mol
Exact Mass882.39
IUPAC Name2,3,5,6-tetradeuterio-N,N-bis(4-phenylphenyl)-4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]aniline
SMILES[2H]c1c([2H])c(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)c([2H])c([2H])c1-c1ccc2c(c1)c1cc(C3(c4ccccc4)c4ccccc4-c4ccccc43)ccc1n2-c1ccccc1
InChIInChI=1S/C67H46N2/c1-5-17-47(18-6-1)49-29-37-56(38-30-49)68(57-39-31-50(32-40-57)48-19-7-2-8-20-48)58-41-33-51(34-42-58)52-35-43-65-61(45-52)62-46-54(36-44-66(62)69(65)55-23-11-4-12-24-55)67(53-21-9-3-10-22-53)63-27-15-13-25-59(63)60-26-14-16-28-64(60)67/h1-46H/i33D,34D,41D,42D
InChIKeyDSAWRFCNGKOKDA-CYKDLDSFSA-N
XLogP17.62
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500883.14
LogP ≤ 517.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenyl-N-(4-phenylphenyl)-N-[4-[9-phenyl-6-[4-(9-phenylfluoren-9-yl)phenyl]carbazol-3-yl]phenyl]aniline
CID 167334212
9,9-diphenyl-N-(4-phenylphenyl)-N-[4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]fluoren-2-amine
CID 167214675
9-phenyl-6-(9-phenylfluoren-9-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)carbazol-3-amine
CID 167214978
N-(9,9-dimethylfluoren-3-yl)-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]fluoren-2-amine
CID 167334044
N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9-phenyl-9-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)fluoren-2-amine
CID 122593289
9-phenyl-7-(9-phenylfluoren-9-yl)-N,N-bis(4-phenylphenyl)carbazol-3-amine
CID 167334078
9-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 129264403
N-naphthalen-1-yl-N-[4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]naphthalen-1-amine
CID 167215207
N,9-diphenyl-9-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)fluoren-2-amine
CID 122593307
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[9-phenyl-6-[4-(9-phenylfluoren-9-yl)phenyl]carbazol-3-yl]phenyl]fluoren-2-amine
CID 167334138
N,3-diphenyl-N-[4-[3-(9-phenylfluoren-9-yl)carbazol-9-yl]phenyl]aniline
CID 167214673
N-(4-carbazol-9-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N,9,9-triphenyl-N-[4-(3-phenylcarbazol-9-yl)phenyl]fluoren-2-amine;N,9,9-triphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 162125259

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetradeuterio-N,N-bis(4-phenylphenyl)-4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]aniline?
The IUPAC name of 2,3,5,6-tetradeuterio-N,N-bis(4-phenylphenyl)-4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]aniline (CID 167334215) is 2,3,5,6-tetradeuterio-N,N-bis(4-phenylphenyl)-4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]aniline.
What is the SMILES notation for 2,3,5,6-tetradeuterio-N,N-bis(4-phenylphenyl)-4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]aniline?
The canonical SMILES for 2,3,5,6-tetradeuterio-N,N-bis(4-phenylphenyl)-4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]aniline is [2H]c1c([2H])c(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)c([2H])c([2H])c1-c1ccc2c(c1)c1cc(C3(c4ccccc4)c4ccccc4-c4ccccc43)ccc1n2-c1ccccc1.
What is the InChIKey of 2,3,5,6-tetradeuterio-N,N-bis(4-phenylphenyl)-4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]aniline?
The InChIKey is DSAWRFCNGKOKDA-CYKDLDSFSA-N. The full InChI is InChI=1S/C67H46N2/c1-5-17-47(18-6-1)49-29-37-56(38-30-49)68(57-39-31-50(32-40-57)48-19-7-2-8-20-48)58-41-33-51(34-42-58)52-35-43-65-61(45-52)62-46-54(36-44-66(62)69(65)55-23-11-4-12-24-55)67(53-21-9-3-10-22-53)63-27-15-13-25-59(63)60-26-14-16-28-64(60)67/h1-46H/i33D,34D,41D,42D.
What are the key properties of 2,3,5,6-tetradeuterio-N,N-bis(4-phenylphenyl)-4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]aniline?
2,3,5,6-tetradeuterio-N,N-bis(4-phenylphenyl)-4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]aniline has a molecular weight of 883.14 g/mol, XLogP of 17.62, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetradeuterio-N,N-bis(4-phenylphenyl)-4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]aniline is sourced from PubChem (CID 167334215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).