N-(4-carbazol-9-ylphenyl)-N-cyclohexa-1,5-dien-1-yl-4-(10-cyclohexa-2,4-dien-1-yl-1,2-dihydronaphtho[1,2-b][1]benzofuran-5-yl)aniline

C52H40N2O — CID 167144567

IUPACN-(4-carbazol-9-ylphenyl)-N-cyclohexa-1,5-dien-1-yl-4-(10-cyclohexa-2,4-dien-1-yl-1,2-dihydronaphtho[1,2-b][1]benzofuran-5-yl)aniline
SMILESC1=CCC(c2cccc3c2oc2c4c(c(-c5ccc(N(C6=CCCC=C6)c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc5)cc23)C=CCC4)C=C1
InChIInChI=1S/C52H40N2O/c1-3-14-35(15-4-1)41-22-13-23-46-48-34-47(42-18-7-8-21-45(42)52(48)55-51(41)46)36-26-28-38(29-27-36)53(37-16-5-2-6-17-37)39-30-32-40(33-31-39)54-49-24-11-9-19-43(49)44-20-10-12-25-50(44)54/h1,3-5,7,9-14,16-20,22-35H,2,6,8,15,21H2
InChIKeyBMDBWXOGLXZHIQ-UHFFFAOYSA-N
MW708.91 g/mol
LogP14.28
Rot. Bonds6

About N-(4-carbazol-9-ylphenyl)-N-cyclohexa-1,5-dien-1-yl-4-(10-cyclohexa-2,4-dien-1-yl-1,2-dihydronaphtho[1,2-b][1]benzofuran-5-yl)aniline

N-(4-carbazol-9-ylphenyl)-N-cyclohexa-1,5-dien-1-yl-4-(10-cyclohexa-2,4-dien-1-yl-1,2-dihydronaphtho[1,2-b][1]benzofuran-5-yl)aniline (PubChem CID 167144567) has the molecular formula C52H40N2O and a molecular weight of 708.91 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-N-cyclohexa-1,5-dien-1-yl-4-(10-cyclohexa-2,4-dien-1-yl-1,2-dihydronaphtho[1,2-b][1]benzofuran-5-yl)aniline.

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)-N-cyclohexa-1,5-dien-1-yl-4-(10-cyclohexa-2,4-dien-1-yl-1,2-dihydronaphtho[1,2-b][1]benzofuran-5-yl)aniline
PubChem CID167144567
Molecular FormulaC52H40N2O
Molecular Weight708.91 g/mol
Exact Mass708.31
IUPAC NameN-(4-carbazol-9-ylphenyl)-N-cyclohexa-1,5-dien-1-yl-4-(10-cyclohexa-2,4-dien-1-yl-1,2-dihydronaphtho[1,2-b][1]benzofuran-5-yl)aniline
SMILESC1=CCC(c2cccc3c2oc2c4c(c(-c5ccc(N(C6=CCCC=C6)c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc5)cc23)C=CCC4)C=C1
InChIInChI=1S/C52H40N2O/c1-3-14-35(15-4-1)41-22-13-23-46-48-34-47(42-18-7-8-21-45(42)52(48)55-51(41)46)36-26-28-38(29-27-36)53(37-16-5-2-6-17-37)39-30-32-40(33-31-39)54-49-24-11-9-19-43(49)44-20-10-12-25-50(44)54/h1,3-5,7,9-14,16-20,22-35H,2,6,8,15,21H2
InChIKeyBMDBWXOGLXZHIQ-UHFFFAOYSA-N
XLogP14.28
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.91
LogP ≤ 514.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-[4-(6,7-dihydrodibenzofuran-4-yl)phenyl]-1-N,1-N-diphenyl-4-N-(9-phenylcarbazol-3-yl)benzene-1,4-diamine
CID 70671807
4-[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylanilino)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(1,2-dihydrocarbazol-9-yl)phenyl]aniline
CID 88590520
7-carbazol-9-yl-N-[4-(2-cyclohexa-2,4-dien-1-ylphenyl)cyclohexa-1,5-dien-1-yl]-9,9-diethyl-N-phenylfluoren-2-amine
CID 90085884
6-cyclohexa-2,4-dien-1-yl-N-(9,9-diphenylfluoren-2-yl)-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-1-amine
CID 129311250
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-(4-carbazol-9-ylphenyl)-N-[4-(9-cyclohexa-2,4-dien-1-yl-10-phenylanthracen-2-yl)phenyl]-4-phenylaniline
CID 88572392
9-[4-[2-(4-cyclohexa-2,4-dien-1-yl-N-(4-cyclohexa-1,5-dien-1-ylphenyl)anilino)-3,4-dihydrocarbazol-9-yl]phenyl]-N,N-bis(4-phenylphenyl)carbazol-2-amine
CID 88869766
N-(2-cyclohexa-2,4-dien-1-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-3-yl-2-phenylphenyl)-9-phenylcarbazol-3-amine
CID 170136908
N-(4-carbazol-9-ylphenyl)-N-cyclohexa-1,5-dien-1-yl-10-(3-methyl-10-naphthalen-1-ylanthracen-9-yl)-1,2-dihydroanthracen-9-amine
CID 163564049
N-[4-[4-(N-cyclohexa-1,5-dien-1-ylanilino)phenyl]phenyl]-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-9-(4-phenylphenyl)carbazol-3-amine
CID 143613350
N-cyclohexa-1,5-dien-1-yl-4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-10-yl)-N-phenylaniline
CID 170265538
3-cyclohexa-1,5-dien-1-yl-5-(6-cyclohexa-2,4-dien-1-yl-9-phenylcarbazol-4-yl)-9-phenylcarbazole
CID 170002276

Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-N-cyclohexa-1,5-dien-1-yl-4-(10-cyclohexa-2,4-dien-1-yl-1,2-dihydronaphtho[1,2-b][1]benzofuran-5-yl)aniline?
The IUPAC name of N-(4-carbazol-9-ylphenyl)-N-cyclohexa-1,5-dien-1-yl-4-(10-cyclohexa-2,4-dien-1-yl-1,2-dihydronaphtho[1,2-b][1]benzofuran-5-yl)aniline (CID 167144567) is N-(4-carbazol-9-ylphenyl)-N-cyclohexa-1,5-dien-1-yl-4-(10-cyclohexa-2,4-dien-1-yl-1,2-dihydronaphtho[1,2-b][1]benzofuran-5-yl)aniline.
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-N-cyclohexa-1,5-dien-1-yl-4-(10-cyclohexa-2,4-dien-1-yl-1,2-dihydronaphtho[1,2-b][1]benzofuran-5-yl)aniline?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)-N-cyclohexa-1,5-dien-1-yl-4-(10-cyclohexa-2,4-dien-1-yl-1,2-dihydronaphtho[1,2-b][1]benzofuran-5-yl)aniline is C1=CCC(c2cccc3c2oc2c4c(c(-c5ccc(N(C6=CCCC=C6)c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc5)cc23)C=CCC4)C=C1.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-N-cyclohexa-1,5-dien-1-yl-4-(10-cyclohexa-2,4-dien-1-yl-1,2-dihydronaphtho[1,2-b][1]benzofuran-5-yl)aniline?
The InChIKey is BMDBWXOGLXZHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H40N2O/c1-3-14-35(15-4-1)41-22-13-23-46-48-34-47(42-18-7-8-21-45(42)52(48)55-51(41)46)36-26-28-38(29-27-36)53(37-16-5-2-6-17-37)39-30-32-40(33-31-39)54-49-24-11-9-19-43(49)44-20-10-12-25-50(44)54/h1,3-5,7,9-14,16-20,22-35H,2,6,8,15,21H2.
What are the key properties of N-(4-carbazol-9-ylphenyl)-N-cyclohexa-1,5-dien-1-yl-4-(10-cyclohexa-2,4-dien-1-yl-1,2-dihydronaphtho[1,2-b][1]benzofuran-5-yl)aniline?
N-(4-carbazol-9-ylphenyl)-N-cyclohexa-1,5-dien-1-yl-4-(10-cyclohexa-2,4-dien-1-yl-1,2-dihydronaphtho[1,2-b][1]benzofuran-5-yl)aniline has a molecular weight of 708.91 g/mol, XLogP of 14.28, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbazol-9-ylphenyl)-N-cyclohexa-1,5-dien-1-yl-4-(10-cyclohexa-2,4-dien-1-yl-1,2-dihydronaphtho[1,2-b][1]benzofuran-5-yl)aniline is sourced from PubChem (CID 167144567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).