N-(4-cyclohexa-1,5-dien-1-ylphenyl)-3-(9-phenylcarbazol-4-yl)aniline

C36H28N2 — CID 167195742

IUPACN-(4-cyclohexa-1,5-dien-1-ylphenyl)-3-(9-phenylcarbazol-4-yl)aniline
SMILESC1=CC(c2ccc(Nc3cccc(-c4cccc5c4c4ccccc4n5-c4ccccc4)c3)cc2)=CCC1
InChIInChI=1S/C36H28N2/c1-3-11-26(12-4-1)27-21-23-29(24-22-27)37-30-14-9-13-28(25-30)32-18-10-20-35-36(32)33-17-7-8-19-34(33)38(35)31-15-5-2-6-16-31/h2-3,5-25,37H,1,4H2
InChIKeyLMJAQLSCRJHZHU-UHFFFAOYSA-N
MW488.63 g/mol
LogP9.93
Rot. Bonds5

About N-(4-cyclohexa-1,5-dien-1-ylphenyl)-3-(9-phenylcarbazol-4-yl)aniline

N-(4-cyclohexa-1,5-dien-1-ylphenyl)-3-(9-phenylcarbazol-4-yl)aniline (PubChem CID 167195742) has the molecular formula C36H28N2 and a molecular weight of 488.63 g/mol. Its IUPAC name is N-(4-cyclohexa-1,5-dien-1-ylphenyl)-3-(9-phenylcarbazol-4-yl)aniline.

Molecular Properties

Compound NameN-(4-cyclohexa-1,5-dien-1-ylphenyl)-3-(9-phenylcarbazol-4-yl)aniline
PubChem CID167195742
Molecular FormulaC36H28N2
Molecular Weight488.63 g/mol
Exact Mass488.23
IUPAC NameN-(4-cyclohexa-1,5-dien-1-ylphenyl)-3-(9-phenylcarbazol-4-yl)aniline
SMILESC1=CC(c2ccc(Nc3cccc(-c4cccc5c4c4ccccc4n5-c4ccccc4)c3)cc2)=CCC1
InChIInChI=1S/C36H28N2/c1-3-11-26(12-4-1)27-21-23-29(24-22-27)37-30-14-9-13-28(25-30)32-18-10-20-35-36(32)33-17-7-8-19-34(33)38(35)31-15-5-2-6-16-31/h2-3,5-25,37H,1,4H2
InChIKeyLMJAQLSCRJHZHU-UHFFFAOYSA-N
XLogP9.93
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 ≤ 59.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-[3-(4-cyclohexa-1,5-dien-1-ylphenyl)phenyl]-14-[4-(3-phenylphenyl)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 177063273
N-[3-(9-phenylcarbazol-4-yl)phenyl]naphthalen-2-amine
CID 146293944
9-[3-(4-cyclohexa-1,5-dien-1-ylphenyl)phenyl]-14-[4-(3-phenylphenyl)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;ethane
CID 177063272
N-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)phenyl]-3-phenyl-N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]aniline
CID 166659661
9-(4-cyclohexa-1,5-dien-1-ylphenyl)-3-phenylcarbazole
CID 130456805
9-phenyl-N-[3-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine
CID 169028754
N-[4-(3-cyclohexa-1,5-dien-1-ylphenyl)phenyl]-4-[4-(3,6-dimethylcarbazol-9-yl)phenyl]aniline
CID 167211663
N-phenyl-3-(9-phenylcarbazol-3-yl)aniline
CID 59827989
4-(3-phenylphenyl)-9-(4-phenylphenyl)carbazole
CID 166660662
12-(4-cyclohexa-1,5-dien-1-ylphenyl)-11-phenylindolo[2,3-a]carbazole
CID 146390187
9-(4-cyclohexa-1,5-dien-1-ylphenyl)-19-(4-phenylphenyl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
CID 166703086
9-phenyl-4-[3-[7-[3-(9-phenylcarbazol-4-yl)phenyl]triphenylen-2-yl]phenyl]carbazole
CID 118490695

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexa-1,5-dien-1-ylphenyl)-3-(9-phenylcarbazol-4-yl)aniline?
The IUPAC name of N-(4-cyclohexa-1,5-dien-1-ylphenyl)-3-(9-phenylcarbazol-4-yl)aniline (CID 167195742) is N-(4-cyclohexa-1,5-dien-1-ylphenyl)-3-(9-phenylcarbazol-4-yl)aniline.
What is the SMILES notation for N-(4-cyclohexa-1,5-dien-1-ylphenyl)-3-(9-phenylcarbazol-4-yl)aniline?
The canonical SMILES for N-(4-cyclohexa-1,5-dien-1-ylphenyl)-3-(9-phenylcarbazol-4-yl)aniline is C1=CC(c2ccc(Nc3cccc(-c4cccc5c4c4ccccc4n5-c4ccccc4)c3)cc2)=CCC1.
What is the InChIKey of N-(4-cyclohexa-1,5-dien-1-ylphenyl)-3-(9-phenylcarbazol-4-yl)aniline?
The InChIKey is LMJAQLSCRJHZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H28N2/c1-3-11-26(12-4-1)27-21-23-29(24-22-27)37-30-14-9-13-28(25-30)32-18-10-20-35-36(32)33-17-7-8-19-34(33)38(35)31-15-5-2-6-16-31/h2-3,5-25,37H,1,4H2.
What are the key properties of N-(4-cyclohexa-1,5-dien-1-ylphenyl)-3-(9-phenylcarbazol-4-yl)aniline?
N-(4-cyclohexa-1,5-dien-1-ylphenyl)-3-(9-phenylcarbazol-4-yl)aniline has a molecular weight of 488.63 g/mol, XLogP of 9.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexa-1,5-dien-1-ylphenyl)-3-(9-phenylcarbazol-4-yl)aniline is sourced from PubChem (CID 167195742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).