N-(4-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-phenyl-4-[4-(3,4,10,11-tetrahydro-[1]benzofuro[3,2-c]carbazol-5-yl)phenyl]aniline

C48H40N2O — CID 144907047

IUPACN-(4-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-phenyl-4-[4-(3,4,10,11-tetrahydro-[1]benzofuro[3,2-c]carbazol-5-yl)phenyl]aniline
SMILESC1=CC(C2=CCC(N(c3ccccc3)c3ccc(-c4ccc(-n5c6c(c7c8oc9c(c8ccc75)C=CCC9)C=CCC6)cc4)cc3)C=C2)=CCC1
InChIInChI=1S/C48H40N2O/c1-3-11-33(12-4-1)34-19-25-38(26-20-34)49(37-13-5-2-6-14-37)39-27-21-35(22-28-39)36-23-29-40(30-24-36)50-44-17-9-7-16-43(44)47-45(50)32-31-42-41-15-8-10-18-46(41)51-48(42)47/h2-3,5-8,11-16,19-25,27-32,38H,1,4,9-10,17-18,26H2
InChIKeySTBOENIATGSMFY-UHFFFAOYSA-N
MW660.86 g/mol
LogP12.63
Rot. Bonds6

About N-(4-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-phenyl-4-[4-(3,4,10,11-tetrahydro-[1]benzofuro[3,2-c]carbazol-5-yl)phenyl]aniline

N-(4-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-phenyl-4-[4-(3,4,10,11-tetrahydro-[1]benzofuro[3,2-c]carbazol-5-yl)phenyl]aniline (PubChem CID 144907047) has the molecular formula C48H40N2O and a molecular weight of 660.86 g/mol. Its IUPAC name is N-(4-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-phenyl-4-[4-(3,4,10,11-tetrahydro-[1]benzofuro[3,2-c]carbazol-5-yl)phenyl]aniline.

Molecular Properties

Compound NameN-(4-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-phenyl-4-[4-(3,4,10,11-tetrahydro-[1]benzofuro[3,2-c]carbazol-5-yl)phenyl]aniline
PubChem CID144907047
Molecular FormulaC48H40N2O
Molecular Weight660.86 g/mol
Exact Mass660.31
IUPAC NameN-(4-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-phenyl-4-[4-(3,4,10,11-tetrahydro-[1]benzofuro[3,2-c]carbazol-5-yl)phenyl]aniline
SMILESC1=CC(C2=CCC(N(c3ccccc3)c3ccc(-c4ccc(-n5c6c(c7c8oc9c(c8ccc75)C=CCC9)C=CCC6)cc4)cc3)C=C2)=CCC1
InChIInChI=1S/C48H40N2O/c1-3-11-33(12-4-1)34-19-25-38(26-20-34)49(37-13-5-2-6-14-37)39-27-21-35(22-28-39)36-23-29-40(30-24-36)50-44-17-9-7-16-43(44)47-45(50)32-31-42-41-15-8-10-18-46(41)51-48(42)47/h2-3,5-8,11-16,19-25,27-32,38H,1,4,9-10,17-18,26H2
InChIKeySTBOENIATGSMFY-UHFFFAOYSA-N
XLogP12.63
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.86
LogP ≤ 512.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(4-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-phenyl-4-[4-(3,4,10,11-tetrahydro-[1]benzofuro[3,2-c]carbazol-5-yl)phenyl]aniline with MolForge

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Related Compounds

5-[4-(4-methylphenyl)phenyl]-10,11-dihydro-[1]benzofuro[3,2-c]carbazole
CID 144907071
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)aniline
CID 138569576
4-cyclohexa-1,3-dien-1-yl-N-[4-(9-dibenzothiophen-4-yl-7,8-dihydrocarbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-(4-phenylphenyl)aniline
CID 163576681
N-(4-cyclohexa-1,5-dien-1-ylphenyl)-5-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-8-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 167253427
4-[4-(3-cyclohexa-1,5-dien-1-yl-6-cyclohex-3-en-1-yl-1,2-dihydrocarbazol-9-yl)cyclohexa-1,3-dien-1-yl]-N-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)aniline
CID 166953662
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-(9-phenyl-5,6-dihydrocarbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 129311306
N-[4-[3-[4-(N-dibenzofuran-2-ylanilino)phenyl]-5-phenylphenyl]cyclohexa-2,4-dien-1-yl]-N,9-diphenylcarbazol-3-amine
CID 90207063
3-(27-oxa-13-azaheptacyclo[15.11.0.02,14.03,12.04,9.020,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,18,20(28),21(26),22-dodecaen-13-yl)-N-phenyl-N-(4-phenylphenyl)aniline
CID 163624400
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-cyclohexa-1,3-dien-1-yl-N-[4-(9-dibenzothiophen-2-ylcarbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-(4-phenylphenyl)aniline
CID 170131651
9-(4-carbazol-9-ylphenyl)-14-(3,5-diphenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),18-octaene
CID 130184110

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-phenyl-4-[4-(3,4,10,11-tetrahydro-[1]benzofuro[3,2-c]carbazol-5-yl)phenyl]aniline?
The IUPAC name of N-(4-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-phenyl-4-[4-(3,4,10,11-tetrahydro-[1]benzofuro[3,2-c]carbazol-5-yl)phenyl]aniline (CID 144907047) is N-(4-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-phenyl-4-[4-(3,4,10,11-tetrahydro-[1]benzofuro[3,2-c]carbazol-5-yl)phenyl]aniline.
What is the SMILES notation for N-(4-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-phenyl-4-[4-(3,4,10,11-tetrahydro-[1]benzofuro[3,2-c]carbazol-5-yl)phenyl]aniline?
The canonical SMILES for N-(4-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-phenyl-4-[4-(3,4,10,11-tetrahydro-[1]benzofuro[3,2-c]carbazol-5-yl)phenyl]aniline is C1=CC(C2=CCC(N(c3ccccc3)c3ccc(-c4ccc(-n5c6c(c7c8oc9c(c8ccc75)C=CCC9)C=CCC6)cc4)cc3)C=C2)=CCC1.
What is the InChIKey of N-(4-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-phenyl-4-[4-(3,4,10,11-tetrahydro-[1]benzofuro[3,2-c]carbazol-5-yl)phenyl]aniline?
The InChIKey is STBOENIATGSMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H40N2O/c1-3-11-33(12-4-1)34-19-25-38(26-20-34)49(37-13-5-2-6-14-37)39-27-21-35(22-28-39)36-23-29-40(30-24-36)50-44-17-9-7-16-43(44)47-45(50)32-31-42-41-15-8-10-18-46(41)51-48(42)47/h2-3,5-8,11-16,19-25,27-32,38H,1,4,9-10,17-18,26H2.
What are the key properties of N-(4-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-phenyl-4-[4-(3,4,10,11-tetrahydro-[1]benzofuro[3,2-c]carbazol-5-yl)phenyl]aniline?
N-(4-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-phenyl-4-[4-(3,4,10,11-tetrahydro-[1]benzofuro[3,2-c]carbazol-5-yl)phenyl]aniline has a molecular weight of 660.86 g/mol, XLogP of 12.63, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-phenyl-4-[4-(3,4,10,11-tetrahydro-[1]benzofuro[3,2-c]carbazol-5-yl)phenyl]aniline is sourced from PubChem (CID 144907047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).