3-carbazol-9-yl-5-(1,8-dimethyl-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-4-yl)-N,N-diphenylaniline

C42H34N2O — CID 147313097

IUPAC3-carbazol-9-yl-5-(1,8-dimethyl-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-4-yl)-N,N-diphenylaniline
SMILESCC12CCC(C)(O1)c1cc(-c3cc(N(c4ccccc4)c4ccccc4)cc(-n4c5ccccc5c5ccccc54)c3)ccc12
InChIInChI=1S/C42H34N2O/c1-41-23-24-42(2,45-41)38-27-29(21-22-37(38)41)30-25-33(43(31-13-5-3-6-14-31)32-15-7-4-8-16-32)28-34(26-30)44-39-19-11-9-17-35(39)36-18-10-12-20-40(36)44/h3-22,25-28H,23-24H2,1-2H3
InChIKeyYGOAXNVOZWSVSG-UHFFFAOYSA-N
MW582.75 g/mol
LogP11.17
Rot. Bonds5

About 3-carbazol-9-yl-5-(1,8-dimethyl-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-4-yl)-N,N-diphenylaniline

3-carbazol-9-yl-5-(1,8-dimethyl-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-4-yl)-N,N-diphenylaniline (PubChem CID 147313097) has the molecular formula C42H34N2O and a molecular weight of 582.75 g/mol. Its IUPAC name is 3-carbazol-9-yl-5-(1,8-dimethyl-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-4-yl)-N,N-diphenylaniline.

Molecular Properties

Compound Name3-carbazol-9-yl-5-(1,8-dimethyl-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-4-yl)-N,N-diphenylaniline
PubChem CID147313097
Molecular FormulaC42H34N2O
Molecular Weight582.75 g/mol
Exact Mass582.27
IUPAC Name3-carbazol-9-yl-5-(1,8-dimethyl-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-4-yl)-N,N-diphenylaniline
SMILESCC12CCC(C)(O1)c1cc(-c3cc(N(c4ccccc4)c4ccccc4)cc(-n4c5ccccc5c5ccccc54)c3)ccc12
InChIInChI=1S/C42H34N2O/c1-41-23-24-42(2,45-41)38-27-29(21-22-37(38)41)30-25-33(43(31-13-5-3-6-14-31)32-15-7-4-8-16-32)28-34(26-30)44-39-19-11-9-17-35(39)36-18-10-12-20-40(36)44/h3-22,25-28H,23-24H2,1-2H3
InChIKeyYGOAXNVOZWSVSG-UHFFFAOYSA-N
XLogP11.17
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.75
LogP ≤ 511.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-carbazol-9-yl-5-(1,8-dimethyl-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-4-yl)-N,N-diphenylaniline with MolForge

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Related Compounds

N,N-bis(4-bromophenyl)-3-carbazol-9-yl-5-(1,8-dimethyl-4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)aniline
CID 149451842
5-[3,5-di(carbazol-9-yl)phenyl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 58827958
1-N,1-N,3-N,3-N-tetraphenyl-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine
CID 70645467
N,N-diphenyl-3-(9-phenylcarbazol-3-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
CID 142710965
1-N,1-N,3-N,3-N-tetraphenyl-5-(23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-10-yl)benzene-1,3-diamine
CID 89417810
3,5-di(carbazol-9-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 164822811
N-[4-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]phenyl]-N,3,5-triphenylaniline
CID 118289059
3,5-bis(9,9-dimethylfluoren-2-yl)-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 70808663
1-N,1-N,3-N,3-N-tetraphenyl-5-[9-(4-phenylphenyl)carbazol-2-yl]benzene-1,3-diamine
CID 129175640
7-[3,5-di(carbazol-9-yl)phenyl]-N,N-diphenyltriphenylen-2-amine
CID 88884831
3-(3-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)aniline;3-(3-carbazol-9-ylphenyl)-N,N-diphenylaniline;N-[3-(3-carbazol-9-ylphenyl)phenyl]-N-(3,5-diphenylphenyl)-3,5-diphenylaniline;3-(3-carbazol-9-ylphenyl)-N-phenyl-N-(4-phenylphenyl)aniline;N-[3-(3-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-(3-phenylphenyl)aniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-3-(4-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline
CID 159462354
N-phenyl-3-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
CID 142710964

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-5-(1,8-dimethyl-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-4-yl)-N,N-diphenylaniline?
The IUPAC name of 3-carbazol-9-yl-5-(1,8-dimethyl-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-4-yl)-N,N-diphenylaniline (CID 147313097) is 3-carbazol-9-yl-5-(1,8-dimethyl-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-4-yl)-N,N-diphenylaniline.
What is the SMILES notation for 3-carbazol-9-yl-5-(1,8-dimethyl-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-4-yl)-N,N-diphenylaniline?
The canonical SMILES for 3-carbazol-9-yl-5-(1,8-dimethyl-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-4-yl)-N,N-diphenylaniline is CC12CCC(C)(O1)c1cc(-c3cc(N(c4ccccc4)c4ccccc4)cc(-n4c5ccccc5c5ccccc54)c3)ccc12.
What is the InChIKey of 3-carbazol-9-yl-5-(1,8-dimethyl-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-4-yl)-N,N-diphenylaniline?
The InChIKey is YGOAXNVOZWSVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H34N2O/c1-41-23-24-42(2,45-41)38-27-29(21-22-37(38)41)30-25-33(43(31-13-5-3-6-14-31)32-15-7-4-8-16-32)28-34(26-30)44-39-19-11-9-17-35(39)36-18-10-12-20-40(36)44/h3-22,25-28H,23-24H2,1-2H3.
What are the key properties of 3-carbazol-9-yl-5-(1,8-dimethyl-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-4-yl)-N,N-diphenylaniline?
3-carbazol-9-yl-5-(1,8-dimethyl-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-4-yl)-N,N-diphenylaniline has a molecular weight of 582.75 g/mol, XLogP of 11.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-5-(1,8-dimethyl-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-4-yl)-N,N-diphenylaniline is sourced from PubChem (CID 147313097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).