2-(8-cyclohexyl-2,3-dihydronaphthalen-1-yl)-N-phenyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]aniline

C52H44N2 — CID 170297887

IUPAC2-(8-cyclohexyl-2,3-dihydronaphthalen-1-yl)-N-phenyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]aniline
SMILESC1=c2cccc(C3CCCCC3)c2=C(c2ccccc2N(c2ccccc2)c2cccc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c2)CC1
InChIInChI=1S/C52H44N2/c1-4-17-37(18-5-1)44-29-15-19-38-20-16-30-48(52(38)44)46-28-11-12-31-49(46)53(41-22-6-2-7-23-41)43-26-14-21-39(35-43)40-33-34-47-45-27-10-13-32-50(45)54(51(47)36-40)42-24-8-3-9-25-42/h2-3,6-15,19-29,31-37H,1,4-5,16-18,30H2
InChIKeyMKVVKEWGGHHGOB-UHFFFAOYSA-N
MW696.94 g/mol
LogP12.74
Rot. Bonds7

About 2-(8-cyclohexyl-2,3-dihydronaphthalen-1-yl)-N-phenyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]aniline

2-(8-cyclohexyl-2,3-dihydronaphthalen-1-yl)-N-phenyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]aniline (PubChem CID 170297887) has the molecular formula C52H44N2 and a molecular weight of 696.94 g/mol. Its IUPAC name is 2-(8-cyclohexyl-2,3-dihydronaphthalen-1-yl)-N-phenyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]aniline.

Molecular Properties

Compound Name2-(8-cyclohexyl-2,3-dihydronaphthalen-1-yl)-N-phenyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]aniline
PubChem CID170297887
Molecular FormulaC52H44N2
Molecular Weight696.94 g/mol
Exact Mass696.35
IUPAC Name2-(8-cyclohexyl-2,3-dihydronaphthalen-1-yl)-N-phenyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]aniline
SMILESC1=c2cccc(C3CCCCC3)c2=C(c2ccccc2N(c2ccccc2)c2cccc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c2)CC1
InChIInChI=1S/C52H44N2/c1-4-17-37(18-5-1)44-29-15-19-38-20-16-30-48(52(38)44)46-28-11-12-31-49(46)53(41-22-6-2-7-23-41)43-26-14-21-39(35-43)40-33-34-47-45-27-10-13-32-50(45)54(51(47)36-40)42-24-8-3-9-25-42/h2-3,6-15,19-29,31-37H,1,4-5,16-18,30H2
InChIKeyMKVVKEWGGHHGOB-UHFFFAOYSA-N
XLogP12.74
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.94
LogP ≤ 512.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(8-cyclohexyl-2,3-dihydronaphthalen-1-yl)-N-(3-dibenzothiophen-4-ylphenyl)-N-(2-phenylphenyl)aniline
CID 170296120
N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(3-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501079
2-(8-cyclohexylnaphthalen-1-yl)-N-(3-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 170299163
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-5-naphthalen-1-yl-2-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 170297926
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-phenyl-N-[2-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 170297719
4-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-phenyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 170297637
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-phenanthren-1-ylphenyl)-9-phenylcarbazol-2-amine
CID 170303263
N-[3-(9-phenylcarbazol-3-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 172502793
2-(8-cyclohexyl-2,3-dihydronaphthalen-1-yl)-N,N-bis(2-dibenzothiophen-1-ylphenyl)aniline
CID 170300776
N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172503183
N-[4-(4-cyclohexylphenyl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine
CID 169028788
N-[2-[8-(3,5-ditert-butylphenyl)-2,3-dihydronaphthalen-1-yl]phenyl]-9-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-4-amine
CID 170298274

Frequently Asked Questions

What is the IUPAC name of 2-(8-cyclohexyl-2,3-dihydronaphthalen-1-yl)-N-phenyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]aniline?
The IUPAC name of 2-(8-cyclohexyl-2,3-dihydronaphthalen-1-yl)-N-phenyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]aniline (CID 170297887) is 2-(8-cyclohexyl-2,3-dihydronaphthalen-1-yl)-N-phenyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]aniline.
What is the SMILES notation for 2-(8-cyclohexyl-2,3-dihydronaphthalen-1-yl)-N-phenyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]aniline?
The canonical SMILES for 2-(8-cyclohexyl-2,3-dihydronaphthalen-1-yl)-N-phenyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]aniline is C1=c2cccc(C3CCCCC3)c2=C(c2ccccc2N(c2ccccc2)c2cccc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c2)CC1.
What is the InChIKey of 2-(8-cyclohexyl-2,3-dihydronaphthalen-1-yl)-N-phenyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]aniline?
The InChIKey is MKVVKEWGGHHGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H44N2/c1-4-17-37(18-5-1)44-29-15-19-38-20-16-30-48(52(38)44)46-28-11-12-31-49(46)53(41-22-6-2-7-23-41)43-26-14-21-39(35-43)40-33-34-47-45-27-10-13-32-50(45)54(51(47)36-40)42-24-8-3-9-25-42/h2-3,6-15,19-29,31-37H,1,4-5,16-18,30H2.
What are the key properties of 2-(8-cyclohexyl-2,3-dihydronaphthalen-1-yl)-N-phenyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]aniline?
2-(8-cyclohexyl-2,3-dihydronaphthalen-1-yl)-N-phenyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]aniline has a molecular weight of 696.94 g/mol, XLogP of 12.74, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-cyclohexyl-2,3-dihydronaphthalen-1-yl)-N-phenyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]aniline is sourced from PubChem (CID 170297887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).