3-[3-(9-naphthalen-1-ylcarbazol-4-yl)phenyl]-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline

C64H44N2 — CID 166660105

IUPAC3-[3-(9-naphthalen-1-ylcarbazol-4-yl)phenyl]-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cccc(-c5cccc(-c6cccc7c6c6ccccc6n7-c6cccc7ccccc67)c5)c4)cc3)cc2)cc1
InChIInChI=1S/C64H44N2/c1-3-15-45(16-4-1)47-31-33-48(34-32-47)50-37-41-56(42-38-50)65(55-39-35-49(36-40-55)46-17-5-2-6-18-46)57-24-12-22-53(44-57)52-21-11-23-54(43-52)59-27-14-30-63-64(59)60-26-9-10-28-62(60)66(63)61-29-13-20-51-19-7-8-25-58(51)61/h1-44H
InChIKeyYAIOBYSNKLJPPK-UHFFFAOYSA-N
MW841.07 g/mol
LogP17.74
Rot. Bonds9

About 3-[3-(9-naphthalen-1-ylcarbazol-4-yl)phenyl]-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline

3-[3-(9-naphthalen-1-ylcarbazol-4-yl)phenyl]-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline (PubChem CID 166660105) has the molecular formula C64H44N2 and a molecular weight of 841.07 g/mol. Its IUPAC name is 3-[3-(9-naphthalen-1-ylcarbazol-4-yl)phenyl]-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound Name3-[3-(9-naphthalen-1-ylcarbazol-4-yl)phenyl]-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
PubChem CID166660105
Molecular FormulaC64H44N2
Molecular Weight841.07 g/mol
Exact Mass840.35
IUPAC Name3-[3-(9-naphthalen-1-ylcarbazol-4-yl)phenyl]-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cccc(-c5cccc(-c6cccc7c6c6ccccc6n7-c6cccc7ccccc67)c5)c4)cc3)cc2)cc1
InChIInChI=1S/C64H44N2/c1-3-15-45(16-4-1)47-31-33-48(34-32-47)50-37-41-56(42-38-50)65(55-39-35-49(36-40-55)46-17-5-2-6-18-46)57-24-12-22-53(44-57)52-21-11-23-54(43-52)59-27-14-30-63-64(59)60-26-9-10-28-62(60)66(63)61-29-13-20-51-19-7-8-25-58(51)61/h1-44H
InChIKeyYAIOBYSNKLJPPK-UHFFFAOYSA-N
XLogP17.74
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500841.07
LogP ≤ 517.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(9-phenylcarbazol-4-yl)phenyl]-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 166660208
3-[3-(9-phenylcarbazol-4-yl)phenyl]-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
CID 167196004
3-phenyl-N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 166660552
3-(2-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 138467805
N-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 166659485
N-[4-(3,5-diphenylphenyl)phenyl]-3,5-diphenyl-N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]aniline
CID 167195663
3-(3,5-diphenylphenyl)-N-[4-[3-naphthalen-1-yl-5-(9-phenylcarbazol-4-yl)phenyl]phenyl]-5-phenyl-N-(3-phenylphenyl)aniline
CID 176878077
N-(4-naphthalen-2-ylphenyl)-3-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)aniline
CID 167195790
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-phenyl-4-(4-phenylphenyl)aniline
CID 167322176
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 167322073
3-(9-phenanthren-2-ylcarbazol-4-yl)-N-(4-phenanthren-2-ylphenyl)-N-(4-phenylphenyl)aniline
CID 166660209
N-[3-[2-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 118103056

Frequently Asked Questions

What is the IUPAC name of 3-[3-(9-naphthalen-1-ylcarbazol-4-yl)phenyl]-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline?
The IUPAC name of 3-[3-(9-naphthalen-1-ylcarbazol-4-yl)phenyl]-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline (CID 166660105) is 3-[3-(9-naphthalen-1-ylcarbazol-4-yl)phenyl]-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline.
What is the SMILES notation for 3-[3-(9-naphthalen-1-ylcarbazol-4-yl)phenyl]-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline?
The canonical SMILES for 3-[3-(9-naphthalen-1-ylcarbazol-4-yl)phenyl]-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cccc(-c5cccc(-c6cccc7c6c6ccccc6n7-c6cccc7ccccc67)c5)c4)cc3)cc2)cc1.
What is the InChIKey of 3-[3-(9-naphthalen-1-ylcarbazol-4-yl)phenyl]-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline?
The InChIKey is YAIOBYSNKLJPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H44N2/c1-3-15-45(16-4-1)47-31-33-48(34-32-47)50-37-41-56(42-38-50)65(55-39-35-49(36-40-55)46-17-5-2-6-18-46)57-24-12-22-53(44-57)52-21-11-23-54(43-52)59-27-14-30-63-64(59)60-26-9-10-28-62(60)66(63)61-29-13-20-51-19-7-8-25-58(51)61/h1-44H.
What are the key properties of 3-[3-(9-naphthalen-1-ylcarbazol-4-yl)phenyl]-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline?
3-[3-(9-naphthalen-1-ylcarbazol-4-yl)phenyl]-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline has a molecular weight of 841.07 g/mol, XLogP of 17.74, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(9-naphthalen-1-ylcarbazol-4-yl)phenyl]-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 166660105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).