N,N-bis[4-(2-carbazol-9-ylphenyl)phenyl]-2-phenylaniline

C60H41N3 — CID 142416181

IUPACN,N-bis[4-(2-carbazol-9-ylphenyl)phenyl]-2-phenylaniline
SMILESc1ccc(-c2ccccc2N(c2ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)cc2)c2ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C60H41N3/c1-2-18-42(19-3-1)47-20-4-11-27-54(47)61(45-38-34-43(35-39-45)48-21-5-12-28-55(48)62-57-30-14-7-23-50(57)51-24-8-15-31-58(51)62)46-40-36-44(37-41-46)49-22-6-13-29-56(49)63-59-32-16-9-25-52(59)53-26-10-17-33-60(53)63/h1-41H
InChIKeyLUNAWJDQZMFNKG-UHFFFAOYSA-N
MW804.01 g/mol
LogP16.35
Rot. Bonds8

About N,N-bis[4-(2-carbazol-9-ylphenyl)phenyl]-2-phenylaniline

N,N-bis[4-(2-carbazol-9-ylphenyl)phenyl]-2-phenylaniline (PubChem CID 142416181) has the molecular formula C60H41N3 and a molecular weight of 804.01 g/mol. Its IUPAC name is N,N-bis[4-(2-carbazol-9-ylphenyl)phenyl]-2-phenylaniline.

Molecular Properties

Compound NameN,N-bis[4-(2-carbazol-9-ylphenyl)phenyl]-2-phenylaniline
PubChem CID142416181
Molecular FormulaC60H41N3
Molecular Weight804.01 g/mol
Exact Mass803.33
IUPAC NameN,N-bis[4-(2-carbazol-9-ylphenyl)phenyl]-2-phenylaniline
SMILESc1ccc(-c2ccccc2N(c2ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)cc2)c2ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C60H41N3/c1-2-18-42(19-3-1)47-20-4-11-27-54(47)61(45-38-34-43(35-39-45)48-21-5-12-28-55(48)62-57-30-14-7-23-50(57)51-24-8-15-31-58(51)62)46-40-36-44(37-41-46)49-22-6-13-29-56(49)63-59-32-16-9-25-52(59)53-26-10-17-33-60(53)63/h1-41H
InChIKeyLUNAWJDQZMFNKG-UHFFFAOYSA-N
XLogP16.35
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.01
LogP ≤ 516.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-2-(4-phenylphenyl)aniline
CID 142416169
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-phenyl-2-(3-phenylphenyl)aniline
CID 167322460
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-(2-naphthalen-1-ylphenyl)phenyl]-2-phenylaniline
CID 167322298
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-2-phenylaniline
CID 167322506
N-[4-(2-benzo[b]carbazol-5-ylphenyl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 134380684
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
4-(2-carbazol-9-ylphenyl)-N-phenyl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]aniline
CID 167528490
N-[4-(2-benzo[c]carbazol-7-ylphenyl)phenyl]-2-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166897163
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine
CID 139339073

Frequently Asked Questions

What is the IUPAC name of N,N-bis[4-(2-carbazol-9-ylphenyl)phenyl]-2-phenylaniline?
The IUPAC name of N,N-bis[4-(2-carbazol-9-ylphenyl)phenyl]-2-phenylaniline (CID 142416181) is N,N-bis[4-(2-carbazol-9-ylphenyl)phenyl]-2-phenylaniline.
What is the SMILES notation for N,N-bis[4-(2-carbazol-9-ylphenyl)phenyl]-2-phenylaniline?
The canonical SMILES for N,N-bis[4-(2-carbazol-9-ylphenyl)phenyl]-2-phenylaniline is c1ccc(-c2ccccc2N(c2ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)cc2)c2ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)cc2)cc1.
What is the InChIKey of N,N-bis[4-(2-carbazol-9-ylphenyl)phenyl]-2-phenylaniline?
The InChIKey is LUNAWJDQZMFNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41N3/c1-2-18-42(19-3-1)47-20-4-11-27-54(47)61(45-38-34-43(35-39-45)48-21-5-12-28-55(48)62-57-30-14-7-23-50(57)51-24-8-15-31-58(51)62)46-40-36-44(37-41-46)49-22-6-13-29-56(49)63-59-32-16-9-25-52(59)53-26-10-17-33-60(53)63/h1-41H.
What are the key properties of N,N-bis[4-(2-carbazol-9-ylphenyl)phenyl]-2-phenylaniline?
N,N-bis[4-(2-carbazol-9-ylphenyl)phenyl]-2-phenylaniline has a molecular weight of 804.01 g/mol, XLogP of 16.35, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[4-(2-carbazol-9-ylphenyl)phenyl]-2-phenylaniline is sourced from PubChem (CID 142416181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).