N-cyclohexa-1,5-dien-1-yl-N-[4-[4-(2-phenylindol-1-yl)phenyl]phenyl]naphthalen-1-amine

C42H32N2 — CID 134236286

IUPACN-cyclohexa-1,5-dien-1-yl-N-[4-[4-(2-phenylindol-1-yl)phenyl]phenyl]naphthalen-1-amine
SMILESC1=CC(N(c2ccc(-c3ccc(-n4c(-c5ccccc5)cc5ccccc54)cc3)cc2)c2cccc3ccccc23)=CCC1
InChIInChI=1S/C42H32N2/c1-3-13-34(14-4-1)42-30-35-15-8-10-20-40(35)44(42)38-28-24-32(25-29-38)31-22-26-37(27-23-31)43(36-17-5-2-6-18-36)41-21-11-16-33-12-7-9-19-39(33)41/h1,3-5,7-30H,2,6H2
InChIKeyBCQZTVHELGVKKN-UHFFFAOYSA-N
MW564.73 g/mol
LogP11.49
Rot. Bonds6

About N-cyclohexa-1,5-dien-1-yl-N-[4-[4-(2-phenylindol-1-yl)phenyl]phenyl]naphthalen-1-amine

N-cyclohexa-1,5-dien-1-yl-N-[4-[4-(2-phenylindol-1-yl)phenyl]phenyl]naphthalen-1-amine (PubChem CID 134236286) has the molecular formula C42H32N2 and a molecular weight of 564.73 g/mol. Its IUPAC name is N-cyclohexa-1,5-dien-1-yl-N-[4-[4-(2-phenylindol-1-yl)phenyl]phenyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-cyclohexa-1,5-dien-1-yl-N-[4-[4-(2-phenylindol-1-yl)phenyl]phenyl]naphthalen-1-amine
PubChem CID134236286
Molecular FormulaC42H32N2
Molecular Weight564.73 g/mol
Exact Mass564.26
IUPAC NameN-cyclohexa-1,5-dien-1-yl-N-[4-[4-(2-phenylindol-1-yl)phenyl]phenyl]naphthalen-1-amine
SMILESC1=CC(N(c2ccc(-c3ccc(-n4c(-c5ccccc5)cc5ccccc54)cc3)cc2)c2cccc3ccccc23)=CCC1
InChIInChI=1S/C42H32N2/c1-3-13-34(14-4-1)42-30-35-15-8-10-20-40(35)44(42)38-28-24-32(25-29-38)31-22-26-37(27-23-31)43(36-17-5-2-6-18-36)41-21-11-16-33-12-7-9-19-39(33)41/h1,3-5,7-30H,2,6H2
InChIKeyBCQZTVHELGVKKN-UHFFFAOYSA-N
XLogP11.49
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.73
LogP ≤ 511.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-phenyl-N-[4-(1-phenylindol-2-yl)phenyl]naphthalen-1-amine
CID 145013973
N-phenyl-N-[4-(2-phenylindol-1-yl)phenyl]-4-[4-(N-[4-(2-phenylindol-1-yl)phenyl]anilino)phenyl]aniline
CID 144768904
9-(4-carbazol-9-ylphenyl)-N-naphthalen-1-yl-N-(4-phenylphenyl)carbazol-3-amine
CID 158694626
N-[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 118402405
N-[4-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 118152627
N,N-diphenyl-4-(1-phenylindol-2-yl)aniline
CID 59993805
N-(4-phenylphenyl)-N-[4-[2-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]naphthalen-1-amine
CID 126627984
N-[4-[4-(N-cyclohexa-1,5-dien-1-ylanilino)phenyl]phenyl]-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-9-(4-phenylphenyl)carbazol-3-amine
CID 143613350
N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 67472370
3-N,6-N-dinaphthalen-1-yl-3-N,6-N-bis(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole-3,6-diamine
CID 59132913
N-phenyl-N-[4-[9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]naphthalen-1-amine
CID 89492126
N-[4-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 168809283

Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-1,5-dien-1-yl-N-[4-[4-(2-phenylindol-1-yl)phenyl]phenyl]naphthalen-1-amine?
The IUPAC name of N-cyclohexa-1,5-dien-1-yl-N-[4-[4-(2-phenylindol-1-yl)phenyl]phenyl]naphthalen-1-amine (CID 134236286) is N-cyclohexa-1,5-dien-1-yl-N-[4-[4-(2-phenylindol-1-yl)phenyl]phenyl]naphthalen-1-amine.
What is the SMILES notation for N-cyclohexa-1,5-dien-1-yl-N-[4-[4-(2-phenylindol-1-yl)phenyl]phenyl]naphthalen-1-amine?
The canonical SMILES for N-cyclohexa-1,5-dien-1-yl-N-[4-[4-(2-phenylindol-1-yl)phenyl]phenyl]naphthalen-1-amine is C1=CC(N(c2ccc(-c3ccc(-n4c(-c5ccccc5)cc5ccccc54)cc3)cc2)c2cccc3ccccc23)=CCC1.
What is the InChIKey of N-cyclohexa-1,5-dien-1-yl-N-[4-[4-(2-phenylindol-1-yl)phenyl]phenyl]naphthalen-1-amine?
The InChIKey is BCQZTVHELGVKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H32N2/c1-3-13-34(14-4-1)42-30-35-15-8-10-20-40(35)44(42)38-28-24-32(25-29-38)31-22-26-37(27-23-31)43(36-17-5-2-6-18-36)41-21-11-16-33-12-7-9-19-39(33)41/h1,3-5,7-30H,2,6H2.
What are the key properties of N-cyclohexa-1,5-dien-1-yl-N-[4-[4-(2-phenylindol-1-yl)phenyl]phenyl]naphthalen-1-amine?
N-cyclohexa-1,5-dien-1-yl-N-[4-[4-(2-phenylindol-1-yl)phenyl]phenyl]naphthalen-1-amine has a molecular weight of 564.73 g/mol, XLogP of 11.49, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-1,5-dien-1-yl-N-[4-[4-(2-phenylindol-1-yl)phenyl]phenyl]naphthalen-1-amine is sourced from PubChem (CID 134236286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).