N-[4-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)phenyl]-N-[4-(5,6-didehydro-1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]-2-phenyldibenzofuran-4-amine

C54H42N2O — CID 167262194

IUPACN-[4-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)phenyl]-N-[4-(5,6-didehydro-1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]-2-phenyldibenzofuran-4-amine
SMILESc1ccc2c(c#1)c1c(n2-c2ccc(N(c3ccc(C4=CC=C(C5=CC=CCC5)CC4)cc3)c3cc(-c4ccccc4)cc4c3oc3ccccc34)cc2)CCCC1
InChIInChI=1S/C54H42N2O/c1-3-13-37(14-4-1)39-23-25-40(26-24-39)41-27-29-43(30-28-41)55(44-31-33-45(34-32-44)56-50-20-10-7-17-46(50)47-18-8-11-21-51(47)56)52-36-42(38-15-5-2-6-16-38)35-49-48-19-9-12-22-53(48)57-54(49)52/h1-3,5-6,9,11-13,15-16,19,21-23,25,27-36H,4,7,10,14,17,20,24,26H2
InChIKeyKUUYOEJKVIXDJO-UHFFFAOYSA-N
MW734.94 g/mol
LogP14.53
Rot. Bonds7

About N-[4-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)phenyl]-N-[4-(5,6-didehydro-1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]-2-phenyldibenzofuran-4-amine

N-[4-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)phenyl]-N-[4-(5,6-didehydro-1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]-2-phenyldibenzofuran-4-amine (PubChem CID 167262194) has the molecular formula C54H42N2O and a molecular weight of 734.94 g/mol. Its IUPAC name is N-[4-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)phenyl]-N-[4-(5,6-didehydro-1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]-2-phenyldibenzofuran-4-amine.

Molecular Properties

Compound NameN-[4-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)phenyl]-N-[4-(5,6-didehydro-1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]-2-phenyldibenzofuran-4-amine
PubChem CID167262194
Molecular FormulaC54H42N2O
Molecular Weight734.94 g/mol
Exact Mass734.33
IUPAC NameN-[4-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)phenyl]-N-[4-(5,6-didehydro-1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]-2-phenyldibenzofuran-4-amine
SMILESc1ccc2c(c#1)c1c(n2-c2ccc(N(c3ccc(C4=CC=C(C5=CC=CCC5)CC4)cc3)c3cc(-c4ccccc4)cc4c3oc3ccccc34)cc2)CCCC1
InChIInChI=1S/C54H42N2O/c1-3-13-37(14-4-1)39-23-25-40(26-24-39)41-27-29-43(30-28-41)55(44-31-33-45(34-32-44)56-50-20-10-7-17-46(50)47-18-8-11-21-51(47)56)52-36-42(38-15-5-2-6-16-38)35-49-48-19-9-12-22-53(48)57-54(49)52/h1-3,5-6,9,11-13,15-16,19,21-23,25,27-36H,4,7,10,14,17,20,24,26H2
InChIKeyKUUYOEJKVIXDJO-UHFFFAOYSA-N
XLogP14.53
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.94
LogP ≤ 514.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[4-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)phenyl]-N-[4-(5,6-didehydro-1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]-2-phenyldibenzofuran-4-amine with MolForge

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Related Compounds

4-cyclohexa-1,3-dien-1-yl-N-(4-phenylphenyl)-N-[4-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline
CID 154935369
N-[4-[4-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 155323237
4-phenyl-N-(4-phenylcyclohexa-1,3-dien-1-yl)-N-[4-[3-(4-phenyldibenzofuran-2-yl)phenyl]phenyl]aniline
CID 129311258
4-(4-cyclohexa-1,3-dien-1-yl-6-phenylpyrimidin-2-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine
CID 166975321
N-[4-[4-[4-[4-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 145063466
N-phenyl-N-[4-[6-phenyl-9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]dibenzofuran-4-amine
CID 89492134
N-[4-(5-cyclohexa-1,3-dien-1-yl-7,9-diphenylcarbazol-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 145159851
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 167278242
N,N-diphenyl-14-(4-phenylphenyl)-3-oxa-14-azahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1,4,6,8,10,12,15(24),16,18,20,22-undecaen-12-amine
CID 134252614
3-cyclohexa-1,3-dien-1-yl-9-(2-dibenzofuran-4-yl-9-phenylcarbazol-4-yl)-6-phenylcarbazole
CID 163435129
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenyldibenzofuran-4-amine
CID 165031168
N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]cyclohexa-1,3-dien-1-yl]-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline
CID 154947312

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)phenyl]-N-[4-(5,6-didehydro-1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]-2-phenyldibenzofuran-4-amine?
The IUPAC name of N-[4-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)phenyl]-N-[4-(5,6-didehydro-1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]-2-phenyldibenzofuran-4-amine (CID 167262194) is N-[4-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)phenyl]-N-[4-(5,6-didehydro-1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]-2-phenyldibenzofuran-4-amine.
What is the SMILES notation for N-[4-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)phenyl]-N-[4-(5,6-didehydro-1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]-2-phenyldibenzofuran-4-amine?
The canonical SMILES for N-[4-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)phenyl]-N-[4-(5,6-didehydro-1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]-2-phenyldibenzofuran-4-amine is c1ccc2c(c#1)c1c(n2-c2ccc(N(c3ccc(C4=CC=C(C5=CC=CCC5)CC4)cc3)c3cc(-c4ccccc4)cc4c3oc3ccccc34)cc2)CCCC1.
What is the InChIKey of N-[4-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)phenyl]-N-[4-(5,6-didehydro-1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]-2-phenyldibenzofuran-4-amine?
The InChIKey is KUUYOEJKVIXDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H42N2O/c1-3-13-37(14-4-1)39-23-25-40(26-24-39)41-27-29-43(30-28-41)55(44-31-33-45(34-32-44)56-50-20-10-7-17-46(50)47-18-8-11-21-51(47)56)52-36-42(38-15-5-2-6-16-38)35-49-48-19-9-12-22-53(48)57-54(49)52/h1-3,5-6,9,11-13,15-16,19,21-23,25,27-36H,4,7,10,14,17,20,24,26H2.
What are the key properties of N-[4-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)phenyl]-N-[4-(5,6-didehydro-1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]-2-phenyldibenzofuran-4-amine?
N-[4-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)phenyl]-N-[4-(5,6-didehydro-1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]-2-phenyldibenzofuran-4-amine has a molecular weight of 734.94 g/mol, XLogP of 14.53, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)phenyl]-N-[4-(5,6-didehydro-1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]-2-phenyldibenzofuran-4-amine is sourced from PubChem (CID 167262194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).