N-phenyl-3-[10-(3-phenylcyclohexa-1,3-dien-1-yl)anthracen-9-yl]-N-[4-[3-(6-phenylcyclohexa-2,4-dien-1-yl)-6-(2-phenylphenyl)-3,4-dihydrocarbazol-9-yl]phenyl]aniline

C80H60N2 — CID 143399070

IUPACN-phenyl-3-[10-(3-phenylcyclohexa-1,3-dien-1-yl)anthracen-9-yl]-N-[4-[3-(6-phenylcyclohexa-2,4-dien-1-yl)-6-(2-phenylphenyl)-3,4-dihydrocarbazol-9-yl]phenyl]aniline
SMILESC1=CC(c2ccccc2)C(C2C=Cc3c(c4cc(-c5ccccc5-c5ccccc5)ccc4n3-c3ccc(N(c4ccccc4)c4cccc(-c5c6ccccc6c(C6=CC(c7ccccc7)=CCC6)c6ccccc56)c4)cc3)C2)C=C1
InChIInChI=1S/C80H60N2/c1-5-23-55(24-6-1)58-29-21-30-61(51-58)79-71-39-17-19-41-73(71)80(74-42-20-18-40-72(74)79)62-31-22-34-66(52-62)81(63-32-11-4-12-33-63)64-45-47-65(48-46-64)82-77-49-43-59(69-37-15-13-35-67(69)56-25-7-2-8-26-56)53-75(77)76-54-60(44-50-78(76)82)70-38-16-14-36-68(70)57-27-9-3-10-28-57/h1-20,22-29,31-53,60,68,70H,21,30,54H2
InChIKeyDQILUHKEBWKGEO-UHFFFAOYSA-N
MW1049.37 g/mol
LogP21.38
Rot. Bonds11

About N-phenyl-3-[10-(3-phenylcyclohexa-1,3-dien-1-yl)anthracen-9-yl]-N-[4-[3-(6-phenylcyclohexa-2,4-dien-1-yl)-6-(2-phenylphenyl)-3,4-dihydrocarbazol-9-yl]phenyl]aniline

N-phenyl-3-[10-(3-phenylcyclohexa-1,3-dien-1-yl)anthracen-9-yl]-N-[4-[3-(6-phenylcyclohexa-2,4-dien-1-yl)-6-(2-phenylphenyl)-3,4-dihydrocarbazol-9-yl]phenyl]aniline (PubChem CID 143399070) has the molecular formula C80H60N2 and a molecular weight of 1049.37 g/mol. Its IUPAC name is N-phenyl-3-[10-(3-phenylcyclohexa-1,3-dien-1-yl)anthracen-9-yl]-N-[4-[3-(6-phenylcyclohexa-2,4-dien-1-yl)-6-(2-phenylphenyl)-3,4-dihydrocarbazol-9-yl]phenyl]aniline.

Molecular Properties

Compound NameN-phenyl-3-[10-(3-phenylcyclohexa-1,3-dien-1-yl)anthracen-9-yl]-N-[4-[3-(6-phenylcyclohexa-2,4-dien-1-yl)-6-(2-phenylphenyl)-3,4-dihydrocarbazol-9-yl]phenyl]aniline
PubChem CID143399070
Molecular FormulaC80H60N2
Molecular Weight1049.37 g/mol
Exact Mass1048.48
IUPAC NameN-phenyl-3-[10-(3-phenylcyclohexa-1,3-dien-1-yl)anthracen-9-yl]-N-[4-[3-(6-phenylcyclohexa-2,4-dien-1-yl)-6-(2-phenylphenyl)-3,4-dihydrocarbazol-9-yl]phenyl]aniline
SMILESC1=CC(c2ccccc2)C(C2C=Cc3c(c4cc(-c5ccccc5-c5ccccc5)ccc4n3-c3ccc(N(c4ccccc4)c4cccc(-c5c6ccccc6c(C6=CC(c7ccccc7)=CCC6)c6ccccc56)c4)cc3)C2)C=C1
InChIInChI=1S/C80H60N2/c1-5-23-55(24-6-1)58-29-21-30-61(51-58)79-71-39-17-19-41-73(71)80(74-42-20-18-40-72(74)79)62-31-22-34-66(52-62)81(63-32-11-4-12-33-63)64-45-47-65(48-46-64)82-77-49-43-59(69-37-15-13-35-67(69)56-25-7-2-8-26-56)53-75(77)76-54-60(44-50-78(76)82)70-38-16-14-36-68(70)57-27-9-3-10-28-57/h1-20,22-29,31-53,60,68,70H,21,30,54H2
InChIKeyDQILUHKEBWKGEO-UHFFFAOYSA-N
XLogP21.38
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001049.37
LogP ≤ 521.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze N-phenyl-3-[10-(3-phenylcyclohexa-1,3-dien-1-yl)anthracen-9-yl]-N-[4-[3-(6-phenylcyclohexa-2,4-dien-1-yl)-6-(2-phenylphenyl)-3,4-dihydrocarbazol-9-yl]phenyl]aniline with MolForge

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Related Compounds

N-[4-[3,6-bis(2-phenylphenyl)carbazol-9-yl]phenyl]-N-phenyl-4-(10-phenylanthracen-9-yl)aniline;N-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]-N-phenyl-4-(10-phenylanthracen-9-yl)aniline
CID 158286296
N-phenyl-3-(4-phenylphenyl)-N-[4-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]aniline
CID 118103101
N-[4-[3-(2-cyclohexa-1,5-dien-1-ylphenyl)-6-(2-phenylphenyl)carbazol-9-yl]phenyl]-10-(10-naphthalen-1-ylanthracen-9-yl)-N-phenylanthracen-9-amine
CID 143399100
N-phenyl-3-(9-phenylcarbazol-3-yl)-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 168788475
N,N-diphenyl-9-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]carbazol-3-amine;N,N-diphenyl-9-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]carbazol-3-amine
CID 157146529
3-(10-phenylphenanthren-9-yl)-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 134453682
3-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 168789959
N-(4-carbazol-9-ylphenyl)-3-naphthalen-1-yl-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]aniline
CID 172501687
N-[4-(4,4a,4b,8a,9,10-hexahydrophenanthren-2-yl)phenyl]-N-[3-(1,9-diphenylcarbazol-4-yl)phenyl]phenanthren-2-amine
CID 167195798
3-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 166660074
N-[4-[3,6-bis(2-phenylphenyl)carbazol-9-yl]phenyl]-N-phenyl-4-[10-(4-phenylphenyl)anthracen-9-yl]naphthalen-1-amine;N-[4-[3,6-bis(2-phenylphenyl)carbazol-9-yl]phenyl]-N-phenyl-5-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-amine
CID 158598595
N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-3-[4-[3-(N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino)phenyl]-6-[3-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]aniline
CID 134236787

Frequently Asked Questions

What is the IUPAC name of N-phenyl-3-[10-(3-phenylcyclohexa-1,3-dien-1-yl)anthracen-9-yl]-N-[4-[3-(6-phenylcyclohexa-2,4-dien-1-yl)-6-(2-phenylphenyl)-3,4-dihydrocarbazol-9-yl]phenyl]aniline?
The IUPAC name of N-phenyl-3-[10-(3-phenylcyclohexa-1,3-dien-1-yl)anthracen-9-yl]-N-[4-[3-(6-phenylcyclohexa-2,4-dien-1-yl)-6-(2-phenylphenyl)-3,4-dihydrocarbazol-9-yl]phenyl]aniline (CID 143399070) is N-phenyl-3-[10-(3-phenylcyclohexa-1,3-dien-1-yl)anthracen-9-yl]-N-[4-[3-(6-phenylcyclohexa-2,4-dien-1-yl)-6-(2-phenylphenyl)-3,4-dihydrocarbazol-9-yl]phenyl]aniline.
What is the SMILES notation for N-phenyl-3-[10-(3-phenylcyclohexa-1,3-dien-1-yl)anthracen-9-yl]-N-[4-[3-(6-phenylcyclohexa-2,4-dien-1-yl)-6-(2-phenylphenyl)-3,4-dihydrocarbazol-9-yl]phenyl]aniline?
The canonical SMILES for N-phenyl-3-[10-(3-phenylcyclohexa-1,3-dien-1-yl)anthracen-9-yl]-N-[4-[3-(6-phenylcyclohexa-2,4-dien-1-yl)-6-(2-phenylphenyl)-3,4-dihydrocarbazol-9-yl]phenyl]aniline is C1=CC(c2ccccc2)C(C2C=Cc3c(c4cc(-c5ccccc5-c5ccccc5)ccc4n3-c3ccc(N(c4ccccc4)c4cccc(-c5c6ccccc6c(C6=CC(c7ccccc7)=CCC6)c6ccccc56)c4)cc3)C2)C=C1.
What is the InChIKey of N-phenyl-3-[10-(3-phenylcyclohexa-1,3-dien-1-yl)anthracen-9-yl]-N-[4-[3-(6-phenylcyclohexa-2,4-dien-1-yl)-6-(2-phenylphenyl)-3,4-dihydrocarbazol-9-yl]phenyl]aniline?
The InChIKey is DQILUHKEBWKGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H60N2/c1-5-23-55(24-6-1)58-29-21-30-61(51-58)79-71-39-17-19-41-73(71)80(74-42-20-18-40-72(74)79)62-31-22-34-66(52-62)81(63-32-11-4-12-33-63)64-45-47-65(48-46-64)82-77-49-43-59(69-37-15-13-35-67(69)56-25-7-2-8-26-56)53-75(77)76-54-60(44-50-78(76)82)70-38-16-14-36-68(70)57-27-9-3-10-28-57/h1-20,22-29,31-53,60,68,70H,21,30,54H2.
What are the key properties of N-phenyl-3-[10-(3-phenylcyclohexa-1,3-dien-1-yl)anthracen-9-yl]-N-[4-[3-(6-phenylcyclohexa-2,4-dien-1-yl)-6-(2-phenylphenyl)-3,4-dihydrocarbazol-9-yl]phenyl]aniline?
N-phenyl-3-[10-(3-phenylcyclohexa-1,3-dien-1-yl)anthracen-9-yl]-N-[4-[3-(6-phenylcyclohexa-2,4-dien-1-yl)-6-(2-phenylphenyl)-3,4-dihydrocarbazol-9-yl]phenyl]aniline has a molecular weight of 1049.37 g/mol, XLogP of 21.38, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-3-[10-(3-phenylcyclohexa-1,3-dien-1-yl)anthracen-9-yl]-N-[4-[3-(6-phenylcyclohexa-2,4-dien-1-yl)-6-(2-phenylphenyl)-3,4-dihydrocarbazol-9-yl]phenyl]aniline is sourced from PubChem (CID 143399070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).