N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-2-(4-phenylphenyl)aniline

C72H49N3 — CID 142416169

IUPACN-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-2-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(-c3ccccc3N(c3ccc(-c4ccc(-c5ccccc5-n5c6ccccc6c6ccccc65)cc4)cc3)c3ccc(-c4ccccc4-n4c5ccccc5c5ccccc54)cc3)cc2)cc1
InChIInChI=1S/C72H49N3/c1-2-18-50(19-3-1)51-34-38-54(39-35-51)59-20-4-11-27-66(59)73(58-48-44-56(45-49-58)61-22-6-13-29-68(61)75-71-32-16-9-25-64(71)65-26-10-17-33-72(65)75)57-46-42-53(43-47-57)52-36-40-55(41-37-52)60-21-5-12-28-67(60)74-69-30-14-7-23-62(69)63-24-8-15-31-70(63)74/h1-49H
InChIKeyRKHRJRAFVPMZMD-UHFFFAOYSA-N
MW956.21 g/mol
LogP19.69
Rot. Bonds10

About N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-2-(4-phenylphenyl)aniline

N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-2-(4-phenylphenyl)aniline (PubChem CID 142416169) has the molecular formula C72H49N3 and a molecular weight of 956.21 g/mol. Its IUPAC name is N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-2-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-2-(4-phenylphenyl)aniline
PubChem CID142416169
Molecular FormulaC72H49N3
Molecular Weight956.21 g/mol
Exact Mass955.39
IUPAC NameN-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-2-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(-c3ccccc3N(c3ccc(-c4ccc(-c5ccccc5-n5c6ccccc6c6ccccc65)cc4)cc3)c3ccc(-c4ccccc4-n4c5ccccc5c5ccccc54)cc3)cc2)cc1
InChIInChI=1S/C72H49N3/c1-2-18-50(19-3-1)51-34-38-54(39-35-51)59-20-4-11-27-66(59)73(58-48-44-56(45-49-58)61-22-6-13-29-68(61)75-71-32-16-9-25-64(71)65-26-10-17-33-72(65)75)57-46-42-53(43-47-57)52-36-40-55(41-37-52)60-21-5-12-28-67(60)74-69-30-14-7-23-62(69)63-24-8-15-31-70(63)74/h1-49H
InChIKeyRKHRJRAFVPMZMD-UHFFFAOYSA-N
XLogP19.69
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500956.21
LogP ≤ 519.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-bis[4-(2-carbazol-9-ylphenyl)phenyl]-2-phenylaniline
CID 142416181
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-phenyl-2-(3-phenylphenyl)aniline
CID 167322460
N-[4-(2-benzo[b]carbazol-5-ylphenyl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 134380684
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-phenanthren-9-ylphenyl)-2-phenylaniline
CID 167322579
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-2-phenylaniline
CID 167322506
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(2-naphthalen-1-ylphenyl)phenyl]-2-phenylaniline
CID 167322298
2-(4-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)aniline
CID 121329642
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-2-ylphenyl)phenyl]-2-phenylaniline
CID 167322263
N-[4-(2-benzo[c]carbazol-7-ylphenyl)phenyl]-2-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166897163
2-[9-(2,5-diphenylphenyl)carbazol-2-yl]-N,N-bis(4-phenylphenyl)aniline
CID 118349607
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-[3-(4-phenylphenyl)phenyl]phenyl]naphthalen-1-amine
CID 167322665

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-2-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-2-(4-phenylphenyl)aniline (CID 142416169) is N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-2-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-2-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-2-(4-phenylphenyl)aniline is c1ccc(-c2ccc(-c3ccccc3N(c3ccc(-c4ccc(-c5ccccc5-n5c6ccccc6c6ccccc65)cc4)cc3)c3ccc(-c4ccccc4-n4c5ccccc5c5ccccc54)cc3)cc2)cc1.
What is the InChIKey of N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-2-(4-phenylphenyl)aniline?
The InChIKey is RKHRJRAFVPMZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H49N3/c1-2-18-50(19-3-1)51-34-38-54(39-35-51)59-20-4-11-27-66(59)73(58-48-44-56(45-49-58)61-22-6-13-29-68(61)75-71-32-16-9-25-64(71)65-26-10-17-33-72(65)75)57-46-42-53(43-47-57)52-36-40-55(41-37-52)60-21-5-12-28-67(60)74-69-30-14-7-23-62(69)63-24-8-15-31-70(63)74/h1-49H.
What are the key properties of N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-2-(4-phenylphenyl)aniline?
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-2-(4-phenylphenyl)aniline has a molecular weight of 956.21 g/mol, XLogP of 19.69, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-2-(4-phenylphenyl)aniline is sourced from PubChem (CID 142416169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).