N-[4-[3-(3,4-dihydrocarbazol-9-yl)phenyl]phenyl]-4-phenylaniline

C36H28N2 — CID 146356785

IUPACN-[4-[3-(3,4-dihydrocarbazol-9-yl)phenyl]phenyl]-4-phenylaniline
SMILESC1=Cc2c(c3ccccc3n2-c2cccc(-c3ccc(Nc4ccc(-c5ccccc5)cc4)cc3)c2)CC1
InChIInChI=1S/C36H28N2/c1-2-9-26(10-3-1)27-17-21-30(22-18-27)37-31-23-19-28(20-24-31)29-11-8-12-32(25-29)38-35-15-6-4-13-33(35)34-14-5-7-16-36(34)38/h1-4,6-13,15-25,37H,5,14H2
InChIKeyJUDWDYOCXXVBJA-UHFFFAOYSA-N
MW488.63 g/mol
LogP9.67
Rot. Bonds5

About N-[4-[3-(3,4-dihydrocarbazol-9-yl)phenyl]phenyl]-4-phenylaniline

N-[4-[3-(3,4-dihydrocarbazol-9-yl)phenyl]phenyl]-4-phenylaniline (PubChem CID 146356785) has the molecular formula C36H28N2 and a molecular weight of 488.63 g/mol. Its IUPAC name is N-[4-[3-(3,4-dihydrocarbazol-9-yl)phenyl]phenyl]-4-phenylaniline.

Molecular Properties

Compound NameN-[4-[3-(3,4-dihydrocarbazol-9-yl)phenyl]phenyl]-4-phenylaniline
PubChem CID146356785
Molecular FormulaC36H28N2
Molecular Weight488.63 g/mol
Exact Mass488.23
IUPAC NameN-[4-[3-(3,4-dihydrocarbazol-9-yl)phenyl]phenyl]-4-phenylaniline
SMILESC1=Cc2c(c3ccccc3n2-c2cccc(-c3ccc(Nc4ccc(-c5ccccc5)cc4)cc3)c2)CC1
InChIInChI=1S/C36H28N2/c1-2-9-26(10-3-1)27-17-21-30(22-18-27)37-31-23-19-28(20-24-31)29-11-8-12-32(25-29)38-35-15-6-4-13-33(35)34-14-5-7-16-36(34)38/h1-4,6-13,15-25,37H,5,14H2
InChIKeyJUDWDYOCXXVBJA-UHFFFAOYSA-N
XLogP9.67
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 ≤ 59.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,11-bis(3-phenylphenyl)-7,8-dihydroindolo[3,2-b]carbazole
CID 123303994
9-(4-phenylphenyl)-3-[9-(3-phenylphenyl)-5,6-dihydrocarbazol-2-yl]carbazole
CID 123902449
6-[3-(4-methylphenyl)phenyl]-9-(3-phenylphenyl)-3,4-dihydrocarbazole
CID 144639948
2-(6-carbazol-9-yl-3,4-dihydrocarbazol-9-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole
CID 170372272
9-[3-(1,3,5-triazin-2-yl)phenyl]-3,4-dihydrocarbazole
CID 175358566
9-[3-[3-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]-3,4-dihydrocarbazole
CID 174291367
N-phenyl-4-[9-(3-phenylphenyl)carbazol-3-yl]aniline
CID 59828022
9-(6-triphenylen-2-ylnaphthalen-2-yl)-3,4-dihydrocarbazole
CID 123813680
3-[3-[9-[4-(4-phenylphenyl)phenyl]-5,6-dihydrocarbazol-3-yl]carbazol-9-yl]benzonitrile
CID 163484812
9-[4-[3-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2,4,6-trifluoro-5-phenylphenyl]phenyl]carbazole
CID 142867828
5-[3-[3-(8,9-dihydropyrido[3,2-b]indol-5-yl)phenyl]phenyl]pyrido[3,2-b]indole
CID 154556268
9-phenyl-2-(9-triphenylen-2-yl-5,6-dihydrocarbazol-3-yl)carbazole
CID 163694127

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(3,4-dihydrocarbazol-9-yl)phenyl]phenyl]-4-phenylaniline?
The IUPAC name of N-[4-[3-(3,4-dihydrocarbazol-9-yl)phenyl]phenyl]-4-phenylaniline (CID 146356785) is N-[4-[3-(3,4-dihydrocarbazol-9-yl)phenyl]phenyl]-4-phenylaniline.
What is the SMILES notation for N-[4-[3-(3,4-dihydrocarbazol-9-yl)phenyl]phenyl]-4-phenylaniline?
The canonical SMILES for N-[4-[3-(3,4-dihydrocarbazol-9-yl)phenyl]phenyl]-4-phenylaniline is C1=Cc2c(c3ccccc3n2-c2cccc(-c3ccc(Nc4ccc(-c5ccccc5)cc4)cc3)c2)CC1.
What is the InChIKey of N-[4-[3-(3,4-dihydrocarbazol-9-yl)phenyl]phenyl]-4-phenylaniline?
The InChIKey is JUDWDYOCXXVBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H28N2/c1-2-9-26(10-3-1)27-17-21-30(22-18-27)37-31-23-19-28(20-24-31)29-11-8-12-32(25-29)38-35-15-6-4-13-33(35)34-14-5-7-16-36(34)38/h1-4,6-13,15-25,37H,5,14H2.
What are the key properties of N-[4-[3-(3,4-dihydrocarbazol-9-yl)phenyl]phenyl]-4-phenylaniline?
N-[4-[3-(3,4-dihydrocarbazol-9-yl)phenyl]phenyl]-4-phenylaniline has a molecular weight of 488.63 g/mol, XLogP of 9.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(3,4-dihydrocarbazol-9-yl)phenyl]phenyl]-4-phenylaniline is sourced from PubChem (CID 146356785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).