N-(3-carbazol-9-ylphenyl)-N-[4-(4-phenylcyclohexa-1,5-dien-1-yl)phenyl]naphtho[1,2-b][1]benzofuran-9-amine

C52H36N2O — CID 167278207

IUPACN-(3-carbazol-9-ylphenyl)-N-[4-(4-phenylcyclohexa-1,5-dien-1-yl)phenyl]naphtho[1,2-b][1]benzofuran-9-amine
SMILESC1=CC(c2ccccc2)CC=C1c1ccc(N(c2cccc(-n3c4ccccc4c4ccccc43)c2)c2ccc3c(c2)oc2c4ccccc4ccc32)cc1
InChIInChI=1S/C52H36N2O/c1-2-11-35(12-3-1)36-21-23-37(24-22-36)38-25-28-40(29-26-38)53(43-30-32-47-48-31-27-39-13-4-5-16-44(39)52(48)55-51(47)34-43)41-14-10-15-42(33-41)54-49-19-8-6-17-45(49)46-18-7-9-20-50(46)54/h1-21,23-34,36H,22H2
InChIKeyACRBTGRESIAHKE-UHFFFAOYSA-N
MW704.87 g/mol
LogP14.43
Rot. Bonds6

About N-(3-carbazol-9-ylphenyl)-N-[4-(4-phenylcyclohexa-1,5-dien-1-yl)phenyl]naphtho[1,2-b][1]benzofuran-9-amine

N-(3-carbazol-9-ylphenyl)-N-[4-(4-phenylcyclohexa-1,5-dien-1-yl)phenyl]naphtho[1,2-b][1]benzofuran-9-amine (PubChem CID 167278207) has the molecular formula C52H36N2O and a molecular weight of 704.87 g/mol. Its IUPAC name is N-(3-carbazol-9-ylphenyl)-N-[4-(4-phenylcyclohexa-1,5-dien-1-yl)phenyl]naphtho[1,2-b][1]benzofuran-9-amine.

Molecular Properties

Compound NameN-(3-carbazol-9-ylphenyl)-N-[4-(4-phenylcyclohexa-1,5-dien-1-yl)phenyl]naphtho[1,2-b][1]benzofuran-9-amine
PubChem CID167278207
Molecular FormulaC52H36N2O
Molecular Weight704.87 g/mol
Exact Mass704.28
IUPAC NameN-(3-carbazol-9-ylphenyl)-N-[4-(4-phenylcyclohexa-1,5-dien-1-yl)phenyl]naphtho[1,2-b][1]benzofuran-9-amine
SMILESC1=CC(c2ccccc2)CC=C1c1ccc(N(c2cccc(-n3c4ccccc4c4ccccc43)c2)c2ccc3c(c2)oc2c4ccccc4ccc32)cc1
InChIInChI=1S/C52H36N2O/c1-2-11-35(12-3-1)36-21-23-37(24-22-36)38-25-28-40(29-26-38)53(43-30-32-47-48-31-27-39-13-4-5-16-44(39)52(48)55-51(47)34-43)41-14-10-15-42(33-41)54-49-19-8-6-17-45(49)46-18-7-9-20-50(46)54/h1-21,23-34,36H,22H2
InChIKeyACRBTGRESIAHKE-UHFFFAOYSA-N
XLogP14.43
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 ≤ 514.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-carbazol-9-ylphenyl)-N-[4-(8-phenylnaphthalen-2-yl)phenyl]naphtho[1,2-b][1]benzofuran-9-amine
CID 167277636
N,N,9-triphenyl-6-[4-(4-phenylcyclohexa-1,5-dien-1-yl)phenyl]carbazol-2-amine
CID 130241442
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
N-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-3-naphtho[1,2-b][1]benzofuran-7-ylaniline
CID 163860911
3-carbazol-9-yl-N-(4-dibenzofuran-3-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 146578380
2-phenyl-N-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(4-phenylcyclohexa-1,5-dien-1-yl)phenyl]aniline
CID 167194962
3-carbazol-9-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline;3-carbazol-9-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline;3-carbazol-9-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 158979073
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-phenyldibenzofuran-3-amine;N-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine;N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 163939327
N-(3-carbazol-9-ylphenyl)-N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]naphthalen-2-amine
CID 153315025
N-[6-(4-cyclohexa-2,4-dien-1-ylphenyl)-9-phenylcarbazol-3-yl]-N-naphthalen-1-yl-9-phenyl-6-(4-phenylcyclohexa-1,5-dien-1-yl)carbazol-3-amine
CID 163564194
5-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-1-N-[3-[4-[4-(N-[3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-(N-(4-phenylphenyl)anilino)phenyl]anilino)phenyl]cyclohexa-1,5-dien-1-yl]phenyl]-3-N-cyclohexa-1,3-dien-1-yl-1-N,3-N-diphenylbenzene-1,3-diamine
CID 163798364
N-[3-[3-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]phenyl]-N-phenyldibenzofuran-3-amine
CID 129085108

Frequently Asked Questions

What is the IUPAC name of N-(3-carbazol-9-ylphenyl)-N-[4-(4-phenylcyclohexa-1,5-dien-1-yl)phenyl]naphtho[1,2-b][1]benzofuran-9-amine?
The IUPAC name of N-(3-carbazol-9-ylphenyl)-N-[4-(4-phenylcyclohexa-1,5-dien-1-yl)phenyl]naphtho[1,2-b][1]benzofuran-9-amine (CID 167278207) is N-(3-carbazol-9-ylphenyl)-N-[4-(4-phenylcyclohexa-1,5-dien-1-yl)phenyl]naphtho[1,2-b][1]benzofuran-9-amine.
What is the SMILES notation for N-(3-carbazol-9-ylphenyl)-N-[4-(4-phenylcyclohexa-1,5-dien-1-yl)phenyl]naphtho[1,2-b][1]benzofuran-9-amine?
The canonical SMILES for N-(3-carbazol-9-ylphenyl)-N-[4-(4-phenylcyclohexa-1,5-dien-1-yl)phenyl]naphtho[1,2-b][1]benzofuran-9-amine is C1=CC(c2ccccc2)CC=C1c1ccc(N(c2cccc(-n3c4ccccc4c4ccccc43)c2)c2ccc3c(c2)oc2c4ccccc4ccc32)cc1.
What is the InChIKey of N-(3-carbazol-9-ylphenyl)-N-[4-(4-phenylcyclohexa-1,5-dien-1-yl)phenyl]naphtho[1,2-b][1]benzofuran-9-amine?
The InChIKey is ACRBTGRESIAHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N2O/c1-2-11-35(12-3-1)36-21-23-37(24-22-36)38-25-28-40(29-26-38)53(43-30-32-47-48-31-27-39-13-4-5-16-44(39)52(48)55-51(47)34-43)41-14-10-15-42(33-41)54-49-19-8-6-17-45(49)46-18-7-9-20-50(46)54/h1-21,23-34,36H,22H2.
What are the key properties of N-(3-carbazol-9-ylphenyl)-N-[4-(4-phenylcyclohexa-1,5-dien-1-yl)phenyl]naphtho[1,2-b][1]benzofuran-9-amine?
N-(3-carbazol-9-ylphenyl)-N-[4-(4-phenylcyclohexa-1,5-dien-1-yl)phenyl]naphtho[1,2-b][1]benzofuran-9-amine has a molecular weight of 704.87 g/mol, XLogP of 14.43, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbazol-9-ylphenyl)-N-[4-(4-phenylcyclohexa-1,5-dien-1-yl)phenyl]naphtho[1,2-b][1]benzofuran-9-amine is sourced from PubChem (CID 167278207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).