N-(2-cyclohexa-1,5-dien-1-yl-6-phenylphenyl)-N,11-diphenyl-[1]benzofuro[3,2-b]carbazol-3-amine

C48H34N2O — CID 165031325

IUPACN-(2-cyclohexa-1,5-dien-1-yl-6-phenylphenyl)-N,11-diphenyl-[1]benzofuro[3,2-b]carbazol-3-amine
SMILESC1=CC(c2cccc(-c3ccccc3)c2N(c2ccccc2)c2ccc3c(c2)oc2cc4c5ccccc5n(-c5ccccc5)c4cc23)=CCC1
InChIInChI=1S/C48H34N2O/c1-5-16-33(17-6-1)38-25-15-26-39(34-18-7-2-8-19-34)48(38)49(35-20-9-3-10-21-35)37-28-29-41-43-31-45-42(32-47(43)51-46(41)30-37)40-24-13-14-27-44(40)50(45)36-22-11-4-12-23-36/h1,3-7,9-32H,2,8H2
InChIKeyFLIUGJIVSYHSPR-UHFFFAOYSA-N
MW654.81 g/mol
LogP13.55
Rot. Bonds6

About N-(2-cyclohexa-1,5-dien-1-yl-6-phenylphenyl)-N,11-diphenyl-[1]benzofuro[3,2-b]carbazol-3-amine

N-(2-cyclohexa-1,5-dien-1-yl-6-phenylphenyl)-N,11-diphenyl-[1]benzofuro[3,2-b]carbazol-3-amine (PubChem CID 165031325) has the molecular formula C48H34N2O and a molecular weight of 654.81 g/mol. Its IUPAC name is N-(2-cyclohexa-1,5-dien-1-yl-6-phenylphenyl)-N,11-diphenyl-[1]benzofuro[3,2-b]carbazol-3-amine.

Molecular Properties

Compound NameN-(2-cyclohexa-1,5-dien-1-yl-6-phenylphenyl)-N,11-diphenyl-[1]benzofuro[3,2-b]carbazol-3-amine
PubChem CID165031325
Molecular FormulaC48H34N2O
Molecular Weight654.81 g/mol
Exact Mass654.27
IUPAC NameN-(2-cyclohexa-1,5-dien-1-yl-6-phenylphenyl)-N,11-diphenyl-[1]benzofuro[3,2-b]carbazol-3-amine
SMILESC1=CC(c2cccc(-c3ccccc3)c2N(c2ccccc2)c2ccc3c(c2)oc2cc4c5ccccc5n(-c5ccccc5)c4cc23)=CCC1
InChIInChI=1S/C48H34N2O/c1-5-16-33(17-6-1)38-25-15-26-39(34-18-7-2-8-19-34)48(38)49(35-20-9-3-10-21-35)37-28-29-41-43-31-45-42(32-47(43)51-46(41)30-37)40-24-13-14-27-44(40)50(45)36-22-11-4-12-23-36/h1,3-7,9-32H,2,8H2
InChIKeyFLIUGJIVSYHSPR-UHFFFAOYSA-N
XLogP13.55
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.81
LogP ≤ 513.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,9-diphenyl-N-(5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19,21,23,26-dodecaen-8-yl)carbazol-2-amine
CID 170235145
7-N-dibenzofuran-3-yl-3-N-phenyl-3-N-(9-phenylcarbazol-3-yl)-7-N-(3-phenylphenyl)dibenzofuran-3,7-diamine
CID 170410174
N-(2,6-diphenylphenyl)-N-phenyldibenzofuran-3-amine
CID 121287858
3-N,7-N-diphenyl-3-N-(9-phenylcarbazol-3-yl)-7-N-(3-phenylphenyl)dibenzofuran-3,7-diamine
CID 170410173
N-[3-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 129085107
N-[4-(2-carbazol-9-yldibenzofuran-4-yl)phenyl]-3-cyclohexa-1,5-dien-1-yl-N-(3-phenylphenyl)aniline
CID 156558918
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-(3-dibenzofuran-3-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-2-amine
CID 168814481
8-N,22-N-bis(3-carbazol-9-ylphenyl)-8-N,22-N-di(dibenzofuran-3-yl)-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine
CID 164999307
N,N-bis(4-phenylphenyl)dibenzofuran-3-amine;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 161469744
N-dibenzofuran-3-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-3-amine
CID 168814816
N-[4-(4-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-3-amine
CID 175631019

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexa-1,5-dien-1-yl-6-phenylphenyl)-N,11-diphenyl-[1]benzofuro[3,2-b]carbazol-3-amine?
The IUPAC name of N-(2-cyclohexa-1,5-dien-1-yl-6-phenylphenyl)-N,11-diphenyl-[1]benzofuro[3,2-b]carbazol-3-amine (CID 165031325) is N-(2-cyclohexa-1,5-dien-1-yl-6-phenylphenyl)-N,11-diphenyl-[1]benzofuro[3,2-b]carbazol-3-amine.
What is the SMILES notation for N-(2-cyclohexa-1,5-dien-1-yl-6-phenylphenyl)-N,11-diphenyl-[1]benzofuro[3,2-b]carbazol-3-amine?
The canonical SMILES for N-(2-cyclohexa-1,5-dien-1-yl-6-phenylphenyl)-N,11-diphenyl-[1]benzofuro[3,2-b]carbazol-3-amine is C1=CC(c2cccc(-c3ccccc3)c2N(c2ccccc2)c2ccc3c(c2)oc2cc4c5ccccc5n(-c5ccccc5)c4cc23)=CCC1.
What is the InChIKey of N-(2-cyclohexa-1,5-dien-1-yl-6-phenylphenyl)-N,11-diphenyl-[1]benzofuro[3,2-b]carbazol-3-amine?
The InChIKey is FLIUGJIVSYHSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N2O/c1-5-16-33(17-6-1)38-25-15-26-39(34-18-7-2-8-19-34)48(38)49(35-20-9-3-10-21-35)37-28-29-41-43-31-45-42(32-47(43)51-46(41)30-37)40-24-13-14-27-44(40)50(45)36-22-11-4-12-23-36/h1,3-7,9-32H,2,8H2.
What are the key properties of N-(2-cyclohexa-1,5-dien-1-yl-6-phenylphenyl)-N,11-diphenyl-[1]benzofuro[3,2-b]carbazol-3-amine?
N-(2-cyclohexa-1,5-dien-1-yl-6-phenylphenyl)-N,11-diphenyl-[1]benzofuro[3,2-b]carbazol-3-amine has a molecular weight of 654.81 g/mol, XLogP of 13.55, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexa-1,5-dien-1-yl-6-phenylphenyl)-N,11-diphenyl-[1]benzofuro[3,2-b]carbazol-3-amine is sourced from PubChem (CID 165031325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).