N-[2-[2-[9-[3,5-bis(3-phenylphenyl)phenyl]carbazol-3-yl]phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine

C74H50N2 — CID 118087714

IUPACN-[2-[2-[9-[3,5-bis(3-phenylphenyl)phenyl]carbazol-3-yl]phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
SMILESc1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccccc5)c4)cc(-n4c5ccccc5c5cc(-c6ccccc6-c6ccccc6N(c6ccc7ccccc7c6)c6ccc7ccccc7c6)ccc54)c3)c2)cc1
InChIInChI=1S/C74H50N2/c1-3-19-51(20-4-1)55-27-17-29-57(43-55)62-45-63(58-30-18-28-56(44-58)52-21-5-2-6-22-52)49-66(48-62)76-73-36-16-14-34-70(73)71-50-61(39-42-74(71)76)67-31-11-12-32-68(67)69-33-13-15-35-72(69)75(64-40-37-53-23-7-9-25-59(53)46-64)65-41-38-54-24-8-10-26-60(54)47-65/h1-50H
InChIKeyPHEHRZKBXRIGAQ-UHFFFAOYSA-N
MW967.23 g/mol
LogP20.56
Rot. Bonds10

About N-[2-[2-[9-[3,5-bis(3-phenylphenyl)phenyl]carbazol-3-yl]phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine

N-[2-[2-[9-[3,5-bis(3-phenylphenyl)phenyl]carbazol-3-yl]phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine (PubChem CID 118087714) has the molecular formula C74H50N2 and a molecular weight of 967.23 g/mol. Its IUPAC name is N-[2-[2-[9-[3,5-bis(3-phenylphenyl)phenyl]carbazol-3-yl]phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine.

Molecular Properties

Compound NameN-[2-[2-[9-[3,5-bis(3-phenylphenyl)phenyl]carbazol-3-yl]phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
PubChem CID118087714
Molecular FormulaC74H50N2
Molecular Weight967.23 g/mol
Exact Mass966.40
IUPAC NameN-[2-[2-[9-[3,5-bis(3-phenylphenyl)phenyl]carbazol-3-yl]phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
SMILESc1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccccc5)c4)cc(-n4c5ccccc5c5cc(-c6ccccc6-c6ccccc6N(c6ccc7ccccc7c6)c6ccc7ccccc7c6)ccc54)c3)c2)cc1
InChIInChI=1S/C74H50N2/c1-3-19-51(20-4-1)55-27-17-29-57(43-55)62-45-63(58-30-18-28-56(44-58)52-21-5-2-6-22-52)49-66(48-62)76-73-36-16-14-34-70(73)71-50-61(39-42-74(71)76)67-31-11-12-32-68(67)69-33-13-15-35-72(69)75(64-40-37-53-23-7-9-25-59(53)46-64)65-41-38-54-24-8-10-26-60(54)47-65/h1-50H
InChIKeyPHEHRZKBXRIGAQ-UHFFFAOYSA-N
XLogP20.56
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500967.23
LogP ≤ 520.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[2-[9-(3-naphthalen-2-yl-5-phenylphenyl)carbazol-3-yl]phenyl]phenyl]-N,3-diphenylaniline
CID 118087598
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-2-(2-phenylphenyl)aniline
CID 166565729
N-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 118087581
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 166566086
2-[4-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 118087664
N-[2-[9-[3-naphthalen-2-yl-5-(3-phenylphenyl)phenyl]carbazol-3-yl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 118087622
2-(9-phenylcarbazol-3-yl)-N,N-bis(4-phenylphenyl)aniline;5-(9-phenylcarbazol-3-yl)-N,N-bis(4-phenylphenyl)naphthalen-1-amine;6-(9-phenylcarbazol-3-yl)-N,N-bis(4-phenylphenyl)naphthalen-2-amine;4-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 157115860
N-[2-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N,3,5-triphenylaniline
CID 90215101
N-[2-[2-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 118103040
3-[3-[2-[9-(3,5-dinaphthalen-2-ylphenyl)carbazol-3-yl]phenyl]phenyl]-9-phenylcarbazole
CID 126764159
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501382
2-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline;N-phenyl-6-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine;N-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-4-(4-phenylphenyl)aniline;N-phenyl-N-[4-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)aniline
CID 158614914

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[9-[3,5-bis(3-phenylphenyl)phenyl]carbazol-3-yl]phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine?
The IUPAC name of N-[2-[2-[9-[3,5-bis(3-phenylphenyl)phenyl]carbazol-3-yl]phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine (CID 118087714) is N-[2-[2-[9-[3,5-bis(3-phenylphenyl)phenyl]carbazol-3-yl]phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine.
What is the SMILES notation for N-[2-[2-[9-[3,5-bis(3-phenylphenyl)phenyl]carbazol-3-yl]phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine?
The canonical SMILES for N-[2-[2-[9-[3,5-bis(3-phenylphenyl)phenyl]carbazol-3-yl]phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine is c1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccccc5)c4)cc(-n4c5ccccc5c5cc(-c6ccccc6-c6ccccc6N(c6ccc7ccccc7c6)c6ccc7ccccc7c6)ccc54)c3)c2)cc1.
What is the InChIKey of N-[2-[2-[9-[3,5-bis(3-phenylphenyl)phenyl]carbazol-3-yl]phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine?
The InChIKey is PHEHRZKBXRIGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H50N2/c1-3-19-51(20-4-1)55-27-17-29-57(43-55)62-45-63(58-30-18-28-56(44-58)52-21-5-2-6-22-52)49-66(48-62)76-73-36-16-14-34-70(73)71-50-61(39-42-74(71)76)67-31-11-12-32-68(67)69-33-13-15-35-72(69)75(64-40-37-53-23-7-9-25-59(53)46-64)65-41-38-54-24-8-10-26-60(54)47-65/h1-50H.
What are the key properties of N-[2-[2-[9-[3,5-bis(3-phenylphenyl)phenyl]carbazol-3-yl]phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine?
N-[2-[2-[9-[3,5-bis(3-phenylphenyl)phenyl]carbazol-3-yl]phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine has a molecular weight of 967.23 g/mol, XLogP of 20.56, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[9-[3,5-bis(3-phenylphenyl)phenyl]carbazol-3-yl]phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine is sourced from PubChem (CID 118087714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).