N-[4-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)phenyl]-4-phenylaniline

C36H28N2 — CID 153115110

IUPACN-[4-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)phenyl]-4-phenylaniline
SMILESC1=CCCC(n2c3ccccc3c3cc(-c4ccc(Nc5ccc(-c6ccccc6)cc5)cc4)ccc32)=C1
InChIInChI=1S/C36H28N2/c1-3-9-26(10-4-1)27-15-20-30(21-16-27)37-31-22-17-28(18-23-31)29-19-24-36-34(25-29)33-13-7-8-14-35(33)38(36)32-11-5-2-6-12-32/h1-5,7-11,13-25,37H,6,12H2
InChIKeyVTSJEVSCQINKMK-UHFFFAOYSA-N
MW488.63 g/mol
LogP10.06
Rot. Bonds5

About N-[4-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)phenyl]-4-phenylaniline

N-[4-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)phenyl]-4-phenylaniline (PubChem CID 153115110) has the molecular formula C36H28N2 and a molecular weight of 488.63 g/mol. Its IUPAC name is N-[4-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)phenyl]-4-phenylaniline.

Molecular Properties

Compound NameN-[4-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)phenyl]-4-phenylaniline
PubChem CID153115110
Molecular FormulaC36H28N2
Molecular Weight488.63 g/mol
Exact Mass488.23
IUPAC NameN-[4-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)phenyl]-4-phenylaniline
SMILESC1=CCCC(n2c3ccccc3c3cc(-c4ccc(Nc5ccc(-c6ccccc6)cc5)cc4)ccc32)=C1
InChIInChI=1S/C36H28N2/c1-3-9-26(10-4-1)27-15-20-30(21-16-27)37-31-22-17-28(18-23-31)29-19-24-36-34(25-29)33-13-7-8-14-35(33)38(36)32-11-5-2-6-12-32/h1-5,7-11,13-25,37H,6,12H2
InChIKeyVTSJEVSCQINKMK-UHFFFAOYSA-N
XLogP10.06
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.63
LogP ≤ 510.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[9-(9-cyclohexa-1,3-dien-1-ylcarbazol-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 142364492
3-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)-9-dibenzothiophen-1-yl-6-phenylcarbazole
CID 169036908
9-cyclohexa-1,3-dien-1-yl-N-phenyl-N-[4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 70821591
3-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)-9-[4-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]carbazole
CID 145077522
CID 134171795
CID 134171795
N-phenyl-4-[9-(3-phenylphenyl)carbazol-3-yl]aniline
CID 59828022
(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)boronic acid
CID 153238097
9-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 134442711
3-[4-[2-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)-2,3-dihydrocarbazol-9-yl]phenyl]-9-phenylcarbazole
CID 144573357
9-cyclohexa-1,3-dien-1-yl-3-(6-methyldibenzothiophen-3-yl)carbazole
CID 142364398
4-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166859893
7-cyclohexa-1,3-dien-1-yl-10-[5-(9-phenylcarbazol-3-yl)naphthalen-1-yl]benzo[c]carbazole
CID 139481313

Frequently Asked Questions

What is the IUPAC name of N-[4-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)phenyl]-4-phenylaniline?
The IUPAC name of N-[4-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)phenyl]-4-phenylaniline (CID 153115110) is N-[4-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)phenyl]-4-phenylaniline.
What is the SMILES notation for N-[4-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)phenyl]-4-phenylaniline?
The canonical SMILES for N-[4-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)phenyl]-4-phenylaniline is C1=CCCC(n2c3ccccc3c3cc(-c4ccc(Nc5ccc(-c6ccccc6)cc5)cc4)ccc32)=C1.
What is the InChIKey of N-[4-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)phenyl]-4-phenylaniline?
The InChIKey is VTSJEVSCQINKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H28N2/c1-3-9-26(10-4-1)27-15-20-30(21-16-27)37-31-22-17-28(18-23-31)29-19-24-36-34(25-29)33-13-7-8-14-35(33)38(36)32-11-5-2-6-12-32/h1-5,7-11,13-25,37H,6,12H2.
What are the key properties of N-[4-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)phenyl]-4-phenylaniline?
N-[4-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)phenyl]-4-phenylaniline has a molecular weight of 488.63 g/mol, XLogP of 10.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)phenyl]-4-phenylaniline is sourced from PubChem (CID 153115110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).