N-[4-[4-(3-cyclohexa-2,4-dien-1-yl-6-phenyl-1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline

C64H48N2 — CID 146568181

IUPACN-[4-[4-(3-cyclohexa-2,4-dien-1-yl-6-phenyl-1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
SMILESC1=CCC(C2=Cc3c(n(-c4ccc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7cccc8ccccc78)cc6)cc5)cc4)c4ccc(-c5ccccc5)cc34)CC2)C=C1
InChIInChI=1S/C64H48N2/c1-4-13-45(14-5-1)48-23-33-55(34-24-48)65(57-39-29-52(30-40-57)60-22-12-20-51-19-10-11-21-59(51)60)56-35-25-49(26-36-56)50-27-37-58(38-28-50)66-63-41-31-53(46-15-6-2-7-16-46)43-61(63)62-44-54(32-42-64(62)66)47-17-8-3-9-18-47/h1-17,19-31,33-41,43-44,47H,18,32,42H2
InChIKeySWQZQUPZGGYEIT-UHFFFAOYSA-N
MW845.10 g/mol
LogP17.38
Rot. Bonds9

About N-[4-[4-(3-cyclohexa-2,4-dien-1-yl-6-phenyl-1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline

N-[4-[4-(3-cyclohexa-2,4-dien-1-yl-6-phenyl-1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline (PubChem CID 146568181) has the molecular formula C64H48N2 and a molecular weight of 845.10 g/mol. Its IUPAC name is N-[4-[4-(3-cyclohexa-2,4-dien-1-yl-6-phenyl-1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline.

Molecular Properties

Compound NameN-[4-[4-(3-cyclohexa-2,4-dien-1-yl-6-phenyl-1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
PubChem CID146568181
Molecular FormulaC64H48N2
Molecular Weight845.10 g/mol
Exact Mass844.38
IUPAC NameN-[4-[4-(3-cyclohexa-2,4-dien-1-yl-6-phenyl-1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
SMILESC1=CCC(C2=Cc3c(n(-c4ccc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7cccc8ccccc78)cc6)cc5)cc4)c4ccc(-c5ccccc5)cc34)CC2)C=C1
InChIInChI=1S/C64H48N2/c1-4-13-45(14-5-1)48-23-33-55(34-24-48)65(57-39-29-52(30-40-57)60-22-12-20-51-19-10-11-21-59(51)60)56-35-25-49(26-36-56)50-27-37-58(38-28-50)66-63-41-31-53(46-15-6-2-7-16-46)43-61(63)62-44-54(32-42-64(62)66)47-17-8-3-9-18-47/h1-17,19-31,33-41,43-44,47H,18,32,42H2
InChIKeySWQZQUPZGGYEIT-UHFFFAOYSA-N
XLogP17.38
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500845.10
LogP ≤ 517.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[4-[4-(3-cyclohexa-2,4-dien-1-yl-6-phenyl-1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline with MolForge

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Related Compounds

N-(4-carbazol-9-ylphenyl)-4-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)aniline;N-(4-carbazol-9-ylphenyl)-4-(4-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline;N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 157492697
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 146578337
N-(4-carbazol-9-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]aniline
CID 146580365
N-(4-carbazol-9-ylphenyl)-N-[4-(9-cyclohexa-2,4-dien-1-yl-10-phenylanthracen-2-yl)phenyl]-4-phenylaniline
CID 88572392
4-(4-naphthalen-1-ylphenyl)-N-[4-(10-phenylanthracen-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 59282036
N-(4-carbazol-9-ylphenyl)-4-(4-naphthalen-1-yl-3-phenylphenyl)-N-phenylaniline
CID 167003310
N-[4-(7-methyl-7,8-dihydronaphthalen-1-yl)phenyl]-4-phenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline
CID 143813883
4-[8-[4-(N-cyclohexa-2,4-dien-1-ylanilino)phenyl]-9-naphthalen-1-ylcarbazol-3-yl]-N,N-diphenylaniline
CID 146269861
6-(3-methyl-4-phenylphenyl)-N-naphthalen-1-yl-9-phenyl-N-[9-phenyl-6-(4-phenylphenyl)-1,2-dihydrocarbazol-3-yl]-7,8-dihydrocarbazol-3-amine
CID 143516099
9-(4-naphthalen-1-ylphenyl)-3-(4-naphthalen-2-ylphenyl)-6-phenylcarbazole
CID 177074708
N-(4-naphthalen-1-ylphenyl)-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-(9-phenylcarbazol-3-yl)aniline;N-[4-(10-phenylanthracen-9-yl)phenyl]-4-(9-phenylcarbazol-3-yl)-N-[4-(2-phenylphenyl)phenyl]aniline;N-[4-(10-phenylanthracen-9-yl)phenyl]-4-(9-phenylcarbazol-3-yl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 160771510
N-(4-carbazol-9-ylphenyl)-4-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline;4-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-[4-[3-(3-naphthalen-1-ylphenyl)phenyl]phenyl]aniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 161173154

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3-cyclohexa-2,4-dien-1-yl-6-phenyl-1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline?
The IUPAC name of N-[4-[4-(3-cyclohexa-2,4-dien-1-yl-6-phenyl-1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline (CID 146568181) is N-[4-[4-(3-cyclohexa-2,4-dien-1-yl-6-phenyl-1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline.
What is the SMILES notation for N-[4-[4-(3-cyclohexa-2,4-dien-1-yl-6-phenyl-1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline?
The canonical SMILES for N-[4-[4-(3-cyclohexa-2,4-dien-1-yl-6-phenyl-1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline is C1=CCC(C2=Cc3c(n(-c4ccc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7cccc8ccccc78)cc6)cc5)cc4)c4ccc(-c5ccccc5)cc34)CC2)C=C1.
What is the InChIKey of N-[4-[4-(3-cyclohexa-2,4-dien-1-yl-6-phenyl-1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline?
The InChIKey is SWQZQUPZGGYEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H48N2/c1-4-13-45(14-5-1)48-23-33-55(34-24-48)65(57-39-29-52(30-40-57)60-22-12-20-51-19-10-11-21-59(51)60)56-35-25-49(26-36-56)50-27-37-58(38-28-50)66-63-41-31-53(46-15-6-2-7-16-46)43-61(63)62-44-54(32-42-64(62)66)47-17-8-3-9-18-47/h1-17,19-31,33-41,43-44,47H,18,32,42H2.
What are the key properties of N-[4-[4-(3-cyclohexa-2,4-dien-1-yl-6-phenyl-1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline?
N-[4-[4-(3-cyclohexa-2,4-dien-1-yl-6-phenyl-1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline has a molecular weight of 845.10 g/mol, XLogP of 17.38, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3-cyclohexa-2,4-dien-1-yl-6-phenyl-1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline is sourced from PubChem (CID 146568181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).