N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-3-naphthalen-2-yl-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline

C72H48N2 — CID 169063501

IUPACN-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-3-naphthalen-2-yl-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline
SMILESc1ccc(-c2c(-c3ccccc3)c3cc(-c4ccc(N(c5cccc(-c6ccc7ccccc7c6)c5)c5cccc(-c6cccc7c6c6ccccc6n7-c6ccccc6)c5)cc4)ccc3c3ccccc23)cc1
InChIInChI=1S/C72H48N2/c1-4-20-51(21-5-1)70-65-32-13-12-31-63(65)64-44-41-56(48-67(64)71(70)52-22-6-2-7-23-52)50-39-42-59(43-40-50)73(60-29-16-25-54(46-60)55-38-37-49-19-10-11-24-53(49)45-55)61-30-17-26-57(47-61)62-34-18-36-69-72(62)66-33-14-15-35-68(66)74(69)58-27-8-3-9-28-58/h1-48H
InChIKeyPLIKYONYJOZGOM-UHFFFAOYSA-N
MW941.19 g/mol
LogP20.05
Rot. Bonds9

About N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-3-naphthalen-2-yl-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline

N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-3-naphthalen-2-yl-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline (PubChem CID 169063501) has the molecular formula C72H48N2 and a molecular weight of 941.19 g/mol. Its IUPAC name is N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-3-naphthalen-2-yl-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline.

Molecular Properties

Compound NameN-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-3-naphthalen-2-yl-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline
PubChem CID169063501
Molecular FormulaC72H48N2
Molecular Weight941.19 g/mol
Exact Mass940.38
IUPAC NameN-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-3-naphthalen-2-yl-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline
SMILESc1ccc(-c2c(-c3ccccc3)c3cc(-c4ccc(N(c5cccc(-c6ccc7ccccc7c6)c5)c5cccc(-c6cccc7c6c6ccccc6n7-c6ccccc6)c5)cc4)ccc3c3ccccc23)cc1
InChIInChI=1S/C72H48N2/c1-4-20-51(21-5-1)70-65-32-13-12-31-63(65)64-44-41-56(48-67(64)71(70)52-22-6-2-7-23-52)50-39-42-59(43-40-50)73(60-29-16-25-54(46-60)55-38-37-49-19-10-11-24-53(49)45-55)61-30-17-26-57(47-61)62-34-18-36-69-72(62)66-33-14-15-35-68(66)74(69)58-27-8-3-9-28-58/h1-48H
InChIKeyPLIKYONYJOZGOM-UHFFFAOYSA-N
XLogP20.05
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500941.19
LogP ≤ 520.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3-(9,10-diphenylphenanthren-2-yl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 169062702
N-(4-naphthalen-2-ylphenyl)-3-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)aniline
CID 167195790
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]phenanthren-2-amine
CID 169065016
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-(9-phenylcarbazol-3-yl)aniline
CID 169063604
N-naphthalen-2-yl-9,10-diphenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]phenanthren-2-amine
CID 169065150
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]phenanthren-1-amine
CID 169062808
N-(4-phenanthren-2-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphthalen-2-amine
CID 166659919
5-naphthalen-2-yl-9-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine
CID 169010271
5-naphthalen-2-yl-N,9-diphenyl-N-(3-phenylphenyl)carbazol-2-amine
CID 169009775
3-(7,9-diphenylcarbazol-4-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 166659601
5-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 169010262
N-(4-naphthalen-2-ylphenyl)-N-phenyl-3-(5-phenylbenzo[b]carbazol-1-yl)aniline
CID 167196209

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-3-naphthalen-2-yl-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline?
The IUPAC name of N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-3-naphthalen-2-yl-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline (CID 169063501) is N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-3-naphthalen-2-yl-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline.
What is the SMILES notation for N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-3-naphthalen-2-yl-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline?
The canonical SMILES for N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-3-naphthalen-2-yl-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline is c1ccc(-c2c(-c3ccccc3)c3cc(-c4ccc(N(c5cccc(-c6ccc7ccccc7c6)c5)c5cccc(-c6cccc7c6c6ccccc6n7-c6ccccc6)c5)cc4)ccc3c3ccccc23)cc1.
What is the InChIKey of N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-3-naphthalen-2-yl-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline?
The InChIKey is PLIKYONYJOZGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H48N2/c1-4-20-51(21-5-1)70-65-32-13-12-31-63(65)64-44-41-56(48-67(64)71(70)52-22-6-2-7-23-52)50-39-42-59(43-40-50)73(60-29-16-25-54(46-60)55-38-37-49-19-10-11-24-53(49)45-55)61-30-17-26-57(47-61)62-34-18-36-69-72(62)66-33-14-15-35-68(66)74(69)58-27-8-3-9-28-58/h1-48H.
What are the key properties of N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-3-naphthalen-2-yl-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline?
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-3-naphthalen-2-yl-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline has a molecular weight of 941.19 g/mol, XLogP of 20.05, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-3-naphthalen-2-yl-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline is sourced from PubChem (CID 169063501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).