5-tert-butyl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]cyclohexa-2,4-dien-1-yl]-2-phenyl-N-[2-(9-phenylcarbazol-1-yl)phenyl]aniline

C70H66N2 — CID 170298030

IUPAC5-tert-butyl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]cyclohexa-2,4-dien-1-yl]-2-phenyl-N-[2-(9-phenylcarbazol-1-yl)phenyl]aniline
SMILESCC(C)(C)c1cc(-c2cccc3cccc(C4=CC=CCC4N(c4cc(C(C)(C)C)ccc4-c4ccccc4)c4ccccc4-c4cccc5c6ccccc6n(-c6ccccc6)c45)c23)cc(C(C)(C)C)c1
InChIInChI=1S/C70H66N2/c1-68(2,3)50-41-42-54(47-25-12-10-13-26-47)65(46-50)72(64-40-21-18-33-58(64)61-37-24-36-60-57-32-17-19-38-62(57)71(67(60)61)53-29-14-11-15-30-53)63-39-20-16-31-56(63)59-35-23-28-48-27-22-34-55(66(48)59)49-43-51(69(4,5)6)45-52(44-49)70(7,8)9/h10-38,40-46,63H,39H2,1-9H3
InChIKeySHOPHIHQVANDRC-UHFFFAOYSA-N
MW935.31 g/mol
LogP19.38
Rot. Bonds8

About 5-tert-butyl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]cyclohexa-2,4-dien-1-yl]-2-phenyl-N-[2-(9-phenylcarbazol-1-yl)phenyl]aniline

5-tert-butyl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]cyclohexa-2,4-dien-1-yl]-2-phenyl-N-[2-(9-phenylcarbazol-1-yl)phenyl]aniline (PubChem CID 170298030) has the molecular formula C70H66N2 and a molecular weight of 935.31 g/mol. Its IUPAC name is 5-tert-butyl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]cyclohexa-2,4-dien-1-yl]-2-phenyl-N-[2-(9-phenylcarbazol-1-yl)phenyl]aniline.

Molecular Properties

Compound Name5-tert-butyl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]cyclohexa-2,4-dien-1-yl]-2-phenyl-N-[2-(9-phenylcarbazol-1-yl)phenyl]aniline
PubChem CID170298030
Molecular FormulaC70H66N2
Molecular Weight935.31 g/mol
Exact Mass934.52
IUPAC Name5-tert-butyl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]cyclohexa-2,4-dien-1-yl]-2-phenyl-N-[2-(9-phenylcarbazol-1-yl)phenyl]aniline
SMILESCC(C)(C)c1cc(-c2cccc3cccc(C4=CC=CCC4N(c4cc(C(C)(C)C)ccc4-c4ccccc4)c4ccccc4-c4cccc5c6ccccc6n(-c6ccccc6)c45)c23)cc(C(C)(C)C)c1
InChIInChI=1S/C70H66N2/c1-68(2,3)50-41-42-54(47-25-12-10-13-26-47)65(46-50)72(64-40-21-18-33-58(64)61-37-24-36-60-57-32-17-19-38-62(57)71(67(60)61)53-29-14-11-15-30-53)63-39-20-16-31-56(63)59-35-23-28-48-27-22-34-55(66(48)59)49-43-51(69(4,5)6)45-52(44-49)70(7,8)9/h10-38,40-46,63H,39H2,1-9H3
InChIKeySHOPHIHQVANDRC-UHFFFAOYSA-N
XLogP19.38
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500935.31
LogP ≤ 519.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-tert-butyl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]cyclohexa-2,4-dien-1-yl]-N-(3-phenanthren-1-ylphenyl)-2-phenylaniline
CID 170291329
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]cyclohexa-2,4-dien-1-yl]-2-phenanthren-1-yl-N-(4-phenylphenyl)aniline
CID 170291376
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-5-naphthalen-1-yl-2-phenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline
CID 170298333
N-(4-tert-butylphenyl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170297506
2-(4-tert-butylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)cyclohexa-2,4-dien-1-yl]aniline
CID 170294513
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-1-amine
CID 170300024
2-(4-tert-butylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 170298069
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-5-naphthalen-1-yl-2-phenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]aniline
CID 170298322
N-(2-dibenzothiophen-4-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-9-phenylcarbazol-1-amine
CID 170299894
N-[2-(4-tert-butylphenyl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine
CID 170297134
3,5-ditert-butyl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 170298338
N-(4-tert-butylphenyl)-2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline
CID 170298373

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]cyclohexa-2,4-dien-1-yl]-2-phenyl-N-[2-(9-phenylcarbazol-1-yl)phenyl]aniline?
The IUPAC name of 5-tert-butyl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]cyclohexa-2,4-dien-1-yl]-2-phenyl-N-[2-(9-phenylcarbazol-1-yl)phenyl]aniline (CID 170298030) is 5-tert-butyl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]cyclohexa-2,4-dien-1-yl]-2-phenyl-N-[2-(9-phenylcarbazol-1-yl)phenyl]aniline.
What is the SMILES notation for 5-tert-butyl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]cyclohexa-2,4-dien-1-yl]-2-phenyl-N-[2-(9-phenylcarbazol-1-yl)phenyl]aniline?
The canonical SMILES for 5-tert-butyl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]cyclohexa-2,4-dien-1-yl]-2-phenyl-N-[2-(9-phenylcarbazol-1-yl)phenyl]aniline is CC(C)(C)c1cc(-c2cccc3cccc(C4=CC=CCC4N(c4cc(C(C)(C)C)ccc4-c4ccccc4)c4ccccc4-c4cccc5c6ccccc6n(-c6ccccc6)c45)c23)cc(C(C)(C)C)c1.
What is the InChIKey of 5-tert-butyl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]cyclohexa-2,4-dien-1-yl]-2-phenyl-N-[2-(9-phenylcarbazol-1-yl)phenyl]aniline?
The InChIKey is SHOPHIHQVANDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H66N2/c1-68(2,3)50-41-42-54(47-25-12-10-13-26-47)65(46-50)72(64-40-21-18-33-58(64)61-37-24-36-60-57-32-17-19-38-62(57)71(67(60)61)53-29-14-11-15-30-53)63-39-20-16-31-56(63)59-35-23-28-48-27-22-34-55(66(48)59)49-43-51(69(4,5)6)45-52(44-49)70(7,8)9/h10-38,40-46,63H,39H2,1-9H3.
What are the key properties of 5-tert-butyl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]cyclohexa-2,4-dien-1-yl]-2-phenyl-N-[2-(9-phenylcarbazol-1-yl)phenyl]aniline?
5-tert-butyl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]cyclohexa-2,4-dien-1-yl]-2-phenyl-N-[2-(9-phenylcarbazol-1-yl)phenyl]aniline has a molecular weight of 935.31 g/mol, XLogP of 19.38, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]cyclohexa-2,4-dien-1-yl]-2-phenyl-N-[2-(9-phenylcarbazol-1-yl)phenyl]aniline is sourced from PubChem (CID 170298030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).