N-[4-[3-(1,2-dihydrocarbazol-9-yl)-5-phenanthren-9-ylphenyl]phenyl]-2-(2-phenylphenyl)-N-(3-phenylphenyl)aniline

C68H48N2 — CID 170273206

IUPACN-[4-[3-(1,2-dihydrocarbazol-9-yl)-5-phenanthren-9-ylphenyl]phenyl]-2-(2-phenylphenyl)-N-(3-phenylphenyl)aniline
SMILESC1=Cc2c(n(-c3cc(-c4ccc(N(c5cccc(-c6ccccc6)c5)c5ccccc5-c5ccccc5-c5ccccc5)cc4)cc(-c4cc5ccccc5c5ccccc45)c3)c3ccccc23)CC1
InChIInChI=1S/C68H48N2/c1-3-20-47(21-4-1)50-25-19-26-55(43-50)69(66-35-16-13-32-62(66)60-30-10-9-27-57(60)49-22-5-2-6-23-49)54-40-38-48(39-41-54)52-42-53(65-46-51-24-7-8-28-58(51)59-29-11-12-31-61(59)65)45-56(44-52)70-67-36-17-14-33-63(67)64-34-15-18-37-68(64)70/h1-17,19-36,38-46H,18,37H2
InChIKeyALZPTBUZSYKBRJ-UHFFFAOYSA-N
MW893.15 g/mol
LogP18.70
Rot. Bonds9

About N-[4-[3-(1,2-dihydrocarbazol-9-yl)-5-phenanthren-9-ylphenyl]phenyl]-2-(2-phenylphenyl)-N-(3-phenylphenyl)aniline

N-[4-[3-(1,2-dihydrocarbazol-9-yl)-5-phenanthren-9-ylphenyl]phenyl]-2-(2-phenylphenyl)-N-(3-phenylphenyl)aniline (PubChem CID 170273206) has the molecular formula C68H48N2 and a molecular weight of 893.15 g/mol. Its IUPAC name is N-[4-[3-(1,2-dihydrocarbazol-9-yl)-5-phenanthren-9-ylphenyl]phenyl]-2-(2-phenylphenyl)-N-(3-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-[3-(1,2-dihydrocarbazol-9-yl)-5-phenanthren-9-ylphenyl]phenyl]-2-(2-phenylphenyl)-N-(3-phenylphenyl)aniline
PubChem CID170273206
Molecular FormulaC68H48N2
Molecular Weight893.15 g/mol
Exact Mass892.38
IUPAC NameN-[4-[3-(1,2-dihydrocarbazol-9-yl)-5-phenanthren-9-ylphenyl]phenyl]-2-(2-phenylphenyl)-N-(3-phenylphenyl)aniline
SMILESC1=Cc2c(n(-c3cc(-c4ccc(N(c5cccc(-c6ccccc6)c5)c5ccccc5-c5ccccc5-c5ccccc5)cc4)cc(-c4cc5ccccc5c5ccccc45)c3)c3ccccc23)CC1
InChIInChI=1S/C68H48N2/c1-3-20-47(21-4-1)50-25-19-26-55(43-50)69(66-35-16-13-32-62(66)60-30-10-9-27-57(60)49-22-5-2-6-23-49)54-40-38-48(39-41-54)52-42-53(65-46-51-24-7-8-28-58(51)59-29-11-12-31-61(59)65)45-56(44-52)70-67-36-17-14-33-63(67)64-34-15-18-37-68(64)70/h1-17,19-36,38-46H,18,37H2
InChIKeyALZPTBUZSYKBRJ-UHFFFAOYSA-N
XLogP18.70
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500893.15
LogP ≤ 518.70
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

N-[4-[3-(1,2-dihydrocarbazol-9-yl)-5-phenanthren-2-ylphenyl]phenyl]-N,4-diphenylaniline
CID 170273179
N-[4-[3-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167211221
N-(4-naphthalen-1-ylphenyl)-N-[3-(9-phenyl-7,8-dihydrocarbazol-4-yl)phenyl]naphthalen-1-amine
CID 167195728
N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-[3-(9-phenyl-7,8-dihydrocarbazol-4-yl)phenyl]aniline
CID 167195042
N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172503183
N-(4-phenanthren-9-ylphenyl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172502544
N-[2-[2-[9-[3,5-bis(3-phenylphenyl)phenyl]carbazol-3-yl]phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 118087714
N-[3-[9-(3-naphthalen-1-yl-5-phenylphenyl)carbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 118087639
N-[4-[3-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-8-ylaniline
CID 174280764
N-[3-(9-phenylcarbazol-3-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 172502793
N-[4-(3-carbazol-9-yl-5-phenanthren-3-ylphenyl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 170271814
4-(3-cyclohexa-1,3-dien-1-ylphenyl)-N-[4-[3-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]aniline
CID 166571246

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(1,2-dihydrocarbazol-9-yl)-5-phenanthren-9-ylphenyl]phenyl]-2-(2-phenylphenyl)-N-(3-phenylphenyl)aniline?
The IUPAC name of N-[4-[3-(1,2-dihydrocarbazol-9-yl)-5-phenanthren-9-ylphenyl]phenyl]-2-(2-phenylphenyl)-N-(3-phenylphenyl)aniline (CID 170273206) is N-[4-[3-(1,2-dihydrocarbazol-9-yl)-5-phenanthren-9-ylphenyl]phenyl]-2-(2-phenylphenyl)-N-(3-phenylphenyl)aniline.
What is the SMILES notation for N-[4-[3-(1,2-dihydrocarbazol-9-yl)-5-phenanthren-9-ylphenyl]phenyl]-2-(2-phenylphenyl)-N-(3-phenylphenyl)aniline?
The canonical SMILES for N-[4-[3-(1,2-dihydrocarbazol-9-yl)-5-phenanthren-9-ylphenyl]phenyl]-2-(2-phenylphenyl)-N-(3-phenylphenyl)aniline is C1=Cc2c(n(-c3cc(-c4ccc(N(c5cccc(-c6ccccc6)c5)c5ccccc5-c5ccccc5-c5ccccc5)cc4)cc(-c4cc5ccccc5c5ccccc45)c3)c3ccccc23)CC1.
What is the InChIKey of N-[4-[3-(1,2-dihydrocarbazol-9-yl)-5-phenanthren-9-ylphenyl]phenyl]-2-(2-phenylphenyl)-N-(3-phenylphenyl)aniline?
The InChIKey is ALZPTBUZSYKBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H48N2/c1-3-20-47(21-4-1)50-25-19-26-55(43-50)69(66-35-16-13-32-62(66)60-30-10-9-27-57(60)49-22-5-2-6-23-49)54-40-38-48(39-41-54)52-42-53(65-46-51-24-7-8-28-58(51)59-29-11-12-31-61(59)65)45-56(44-52)70-67-36-17-14-33-63(67)64-34-15-18-37-68(64)70/h1-17,19-36,38-46H,18,37H2.
What are the key properties of N-[4-[3-(1,2-dihydrocarbazol-9-yl)-5-phenanthren-9-ylphenyl]phenyl]-2-(2-phenylphenyl)-N-(3-phenylphenyl)aniline?
N-[4-[3-(1,2-dihydrocarbazol-9-yl)-5-phenanthren-9-ylphenyl]phenyl]-2-(2-phenylphenyl)-N-(3-phenylphenyl)aniline has a molecular weight of 893.15 g/mol, XLogP of 18.70, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(1,2-dihydrocarbazol-9-yl)-5-phenanthren-9-ylphenyl]phenyl]-2-(2-phenylphenyl)-N-(3-phenylphenyl)aniline is sourced from PubChem (CID 170273206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).