N-[4-[4-[2-(2,7-diphenylcarbazol-9-yl)phenyl]phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline

C72H50N2 — CID 155037754

IUPACN-[4-[4-[2-(2,7-diphenylcarbazol-9-yl)phenyl]phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccc(-c6ccccc6-n6c7cc(-c8ccccc8)ccc7c7ccc(-c8ccccc8)cc76)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C72H50N2/c1-5-15-51(16-6-1)55-25-27-56(28-26-55)59-35-43-65(44-36-59)73(64-41-33-58(34-42-64)52-17-7-2-8-18-52)66-45-37-60(38-46-66)57-29-31-61(32-30-57)67-23-13-14-24-70(67)74-71-49-62(53-19-9-3-10-20-53)39-47-68(71)69-48-40-63(50-72(69)74)54-21-11-4-12-22-54/h1-50H
InChIKeyMNHPVVQYMBIMOH-UHFFFAOYSA-N
MW943.21 g/mol
LogP19.92
Rot. Bonds11

About N-[4-[4-[2-(2,7-diphenylcarbazol-9-yl)phenyl]phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline

N-[4-[4-[2-(2,7-diphenylcarbazol-9-yl)phenyl]phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline (PubChem CID 155037754) has the molecular formula C72H50N2 and a molecular weight of 943.21 g/mol. Its IUPAC name is N-[4-[4-[2-(2,7-diphenylcarbazol-9-yl)phenyl]phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound NameN-[4-[4-[2-(2,7-diphenylcarbazol-9-yl)phenyl]phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
PubChem CID155037754
Molecular FormulaC72H50N2
Molecular Weight943.21 g/mol
Exact Mass942.40
IUPAC NameN-[4-[4-[2-(2,7-diphenylcarbazol-9-yl)phenyl]phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccc(-c6ccccc6-n6c7cc(-c8ccccc8)ccc7c7ccc(-c8ccccc8)cc76)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C72H50N2/c1-5-15-51(16-6-1)55-25-27-56(28-26-55)59-35-43-65(44-36-59)73(64-41-33-58(34-42-64)52-17-7-2-8-18-52)66-45-37-60(38-46-66)57-29-31-61(32-30-57)67-23-13-14-24-70(67)74-71-49-62(53-19-9-3-10-20-53)39-47-68(71)69-48-40-63(50-72(69)74)54-21-11-4-12-22-54/h1-50H
InChIKeyMNHPVVQYMBIMOH-UHFFFAOYSA-N
XLogP19.92
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500943.21
LogP ≤ 519.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenyl-N-[4-[4-[2-(2-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 155037999
3-phenyl-N-[4-[4-[2-(2-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 155037985
N-[4-(2-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 138467769
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,3-diphenylaniline
CID 167322503
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(3,4-diphenylphenyl)phenyl]-4-(4-phenylphenyl)aniline
CID 164832068
N-[4-[4-[2-(2,7-diphenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 164724972
4-[2-(7,9-diphenylcarbazol-2-yl)phenyl]-N,N-diphenylaniline
CID 118337160
N-[4-(2-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 174278644
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-phenyl-4-(4-phenylphenyl)aniline
CID 167322176
N,7-diphenyl-9-(3-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine;N-(4-naphthalen-2-ylphenyl)-N,7-diphenyl-9-(3-phenylphenyl)carbazol-2-amine;7-phenyl-9-(3-phenylphenyl)-N,N-bis(4-phenylphenyl)carbazol-2-amine;N,N,7-triphenyl-9-(2-phenylphenyl)carbazol-2-amine;N,N,7-triphenyl-9-(3-phenylphenyl)carbazol-2-amine
CID 160535773
4-(3-carbazol-9-ylphenyl)-N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-phenylaniline
CID 174245460

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[2-(2,7-diphenylcarbazol-9-yl)phenyl]phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline?
The IUPAC name of N-[4-[4-[2-(2,7-diphenylcarbazol-9-yl)phenyl]phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline (CID 155037754) is N-[4-[4-[2-(2,7-diphenylcarbazol-9-yl)phenyl]phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline.
What is the SMILES notation for N-[4-[4-[2-(2,7-diphenylcarbazol-9-yl)phenyl]phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline?
The canonical SMILES for N-[4-[4-[2-(2,7-diphenylcarbazol-9-yl)phenyl]phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccc(-c6ccccc6-n6c7cc(-c8ccccc8)ccc7c7ccc(-c8ccccc8)cc76)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of N-[4-[4-[2-(2,7-diphenylcarbazol-9-yl)phenyl]phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline?
The InChIKey is MNHPVVQYMBIMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H50N2/c1-5-15-51(16-6-1)55-25-27-56(28-26-55)59-35-43-65(44-36-59)73(64-41-33-58(34-42-64)52-17-7-2-8-18-52)66-45-37-60(38-46-66)57-29-31-61(32-30-57)67-23-13-14-24-70(67)74-71-49-62(53-19-9-3-10-20-53)39-47-68(71)69-48-40-63(50-72(69)74)54-21-11-4-12-22-54/h1-50H.
What are the key properties of N-[4-[4-[2-(2,7-diphenylcarbazol-9-yl)phenyl]phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline?
N-[4-[4-[2-(2,7-diphenylcarbazol-9-yl)phenyl]phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline has a molecular weight of 943.21 g/mol, XLogP of 19.92, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[2-(2,7-diphenylcarbazol-9-yl)phenyl]phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 155037754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).