11-dibenzofuran-3-yl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)benzo[a]carbazol-2-amine

C52H36N2O — CID 146186880

IUPAC11-dibenzofuran-3-yl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)benzo[a]carbazol-2-amine
SMILESC1=CC(N(c2ccc(-c3ccccc3)cc2)c2ccc3ccc4c5ccccc5n(-c5ccc6c(c5)oc5ccccc56)c4c3c2)CC=C1c1ccccc1
InChIInChI=1S/C52H36N2O/c1-3-11-35(12-4-1)37-19-25-40(26-20-37)53(41-27-21-38(22-28-41)36-13-5-2-6-14-36)42-29-23-39-24-31-47-44-15-7-9-17-49(44)54(52(47)48(39)33-42)43-30-32-46-45-16-8-10-18-50(45)55-51(46)34-43/h1-27,29-34,41H,28H2
InChIKeyJTVPHIDDXNYKHM-UHFFFAOYSA-N
MW704.87 g/mol
LogP14.05
Rot. Bonds6

About 11-dibenzofuran-3-yl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)benzo[a]carbazol-2-amine

11-dibenzofuran-3-yl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)benzo[a]carbazol-2-amine (PubChem CID 146186880) has the molecular formula C52H36N2O and a molecular weight of 704.87 g/mol. Its IUPAC name is 11-dibenzofuran-3-yl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)benzo[a]carbazol-2-amine.

Molecular Properties

Compound Name11-dibenzofuran-3-yl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)benzo[a]carbazol-2-amine
PubChem CID146186880
Molecular FormulaC52H36N2O
Molecular Weight704.87 g/mol
Exact Mass704.28
IUPAC Name11-dibenzofuran-3-yl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)benzo[a]carbazol-2-amine
SMILESC1=CC(N(c2ccc(-c3ccccc3)cc2)c2ccc3ccc4c5ccccc5n(-c5ccc6c(c5)oc5ccccc56)c4c3c2)CC=C1c1ccccc1
InChIInChI=1S/C52H36N2O/c1-3-11-35(12-4-1)37-19-25-40(26-20-37)53(41-27-21-38(22-28-41)36-13-5-2-6-14-36)42-29-23-39-24-31-47-44-15-7-9-17-49(44)54(52(47)48(39)33-42)43-30-32-46-45-16-8-10-18-50(45)55-51(46)34-43/h1-27,29-34,41H,28H2
InChIKeyJTVPHIDDXNYKHM-UHFFFAOYSA-N
XLogP14.05
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.87
LogP ≤ 514.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylcyclohexa-2,4-dien-1-yl)dibenzofuran-2-amine
CID 170250079
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)aniline
CID 138569576
N-(4-naphthalen-2-ylcyclohexa-2,4-dien-1-yl)-N,11-diphenylbenzo[a]carbazol-3-amine
CID 167157236
N-[4-[3-[4-(N-dibenzofuran-2-ylanilino)phenyl]-5-phenylphenyl]cyclohexa-2,4-dien-1-yl]-N,9-diphenylcarbazol-3-amine
CID 90207063
N-[4-[6-(4-benzo[a]carbazol-11-ylphenyl)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-yl]-4-cyclohexa-1,3-dien-1-yl-N-(4-phenylphenyl)aniline
CID 139339392
N-[4-(3-carbazol-9-ylphenyl)cyclohexa-2,4-dien-1-yl]-4-(3-dibenzofuran-4-ylcyclohexa-1,5-dien-1-yl)-N-[4-(3-dibenzofuran-4-ylcyclohexa-1,5-dien-1-yl)phenyl]aniline
CID 163594248
8-(9-dibenzofuran-3-ylcarbazol-3-yl)-11-(4-phenylphenyl)benzo[a]carbazole
CID 167243435
N-dibenzofuran-3-yl-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-2-amine
CID 166847754
4-(5-carbazol-9-ylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)cyclohexa-2,4-dien-1-yl]aniline
CID 167211262
11-dibenzofuran-3-yl-N,N-bis(4-phenylphenyl)benzo[a]carbazol-2-amine;11-naphthalen-2-yl-N,N-bis(4-phenylphenyl)benzo[a]carbazol-2-amine;7-(11-phenylbenzo[a]carbazol-3-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine;N-phenyl-11-(4-phenylphenyl)-N-triphenylen-2-ylbenzo[a]carbazol-3-amine
CID 159992159
3-dibenzofuran-3-yl-15-phenyl-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene
CID 122465434
8-(9-dibenzofuran-3-yl-7-phenylcarbazol-3-yl)-11-phenylbenzo[a]carbazole
CID 167243823

Frequently Asked Questions

What is the IUPAC name of 11-dibenzofuran-3-yl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)benzo[a]carbazol-2-amine?
The IUPAC name of 11-dibenzofuran-3-yl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)benzo[a]carbazol-2-amine (CID 146186880) is 11-dibenzofuran-3-yl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)benzo[a]carbazol-2-amine.
What is the SMILES notation for 11-dibenzofuran-3-yl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)benzo[a]carbazol-2-amine?
The canonical SMILES for 11-dibenzofuran-3-yl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)benzo[a]carbazol-2-amine is C1=CC(N(c2ccc(-c3ccccc3)cc2)c2ccc3ccc4c5ccccc5n(-c5ccc6c(c5)oc5ccccc56)c4c3c2)CC=C1c1ccccc1.
What is the InChIKey of 11-dibenzofuran-3-yl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)benzo[a]carbazol-2-amine?
The InChIKey is JTVPHIDDXNYKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N2O/c1-3-11-35(12-4-1)37-19-25-40(26-20-37)53(41-27-21-38(22-28-41)36-13-5-2-6-14-36)42-29-23-39-24-31-47-44-15-7-9-17-49(44)54(52(47)48(39)33-42)43-30-32-46-45-16-8-10-18-50(45)55-51(46)34-43/h1-27,29-34,41H,28H2.
What are the key properties of 11-dibenzofuran-3-yl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)benzo[a]carbazol-2-amine?
11-dibenzofuran-3-yl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)benzo[a]carbazol-2-amine has a molecular weight of 704.87 g/mol, XLogP of 14.05, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-dibenzofuran-3-yl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)benzo[a]carbazol-2-amine is sourced from PubChem (CID 146186880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).