4-[4-[4-[6-[4-(4-naphthalen-2-yl-N-[4-(4-naphthalen-1-ylphenyl)-3-phenylphenyl]anilino)phenyl]naphthalen-1-yl]phenyl]phenyl]-N,N-bis(4-naphthalen-2-ylphenyl)-3-phenylaniline

C116H78N2 — CID 146496903

IUPAC4-[4-[4-[6-[4-(4-naphthalen-2-yl-N-[4-(4-naphthalen-1-ylphenyl)-3-phenylphenyl]anilino)phenyl]naphthalen-1-yl]phenyl]phenyl]-N,N-bis(4-naphthalen-2-ylphenyl)-3-phenylaniline
SMILESc1ccc(-c2cc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc(-c4ccc5ccccc5c4)cc3)ccc2-c2ccc(-c3ccc(-c4cccc5cc(-c6ccc(N(c7ccc(-c8ccc9ccccc9c8)cc7)c7ccc(-c8ccc(-c9cccc%10ccccc9%10)cc8)c(-c8ccccc8)c7)cc6)ccc45)cc3)cc2)cc1
InChIInChI=1S/C116H78N2/c1-3-20-89(21-4-1)115-77-107(117(103-60-51-84(52-61-103)98-48-37-79-17-7-10-25-95(79)73-98)104-62-53-85(54-63-104)99-49-38-80-18-8-11-26-96(80)74-99)68-71-112(115)93-42-35-83(36-43-93)82-33-40-91(41-34-82)111-32-16-29-102-76-101(59-70-114(102)111)87-57-66-106(67-58-87)118(105-64-55-86(56-65-105)100-50-39-81-19-9-12-27-97(81)75-100)108-69-72-113(116(78-108)90-22-5-2-6-23-90)94-46-44-92(45-47-94)110-31-15-28-88-24-13-14-30-109(88)110/h1-78H
InChIKeyHBNIYSXJXVUNMG-UHFFFAOYSA-N
MW1499.91 g/mol
LogP32.73
Rot. Bonds17

About 4-[4-[4-[6-[4-(4-naphthalen-2-yl-N-[4-(4-naphthalen-1-ylphenyl)-3-phenylphenyl]anilino)phenyl]naphthalen-1-yl]phenyl]phenyl]-N,N-bis(4-naphthalen-2-ylphenyl)-3-phenylaniline

4-[4-[4-[6-[4-(4-naphthalen-2-yl-N-[4-(4-naphthalen-1-ylphenyl)-3-phenylphenyl]anilino)phenyl]naphthalen-1-yl]phenyl]phenyl]-N,N-bis(4-naphthalen-2-ylphenyl)-3-phenylaniline (PubChem CID 146496903) has the molecular formula C116H78N2 and a molecular weight of 1499.91 g/mol. Its IUPAC name is 4-[4-[4-[6-[4-(4-naphthalen-2-yl-N-[4-(4-naphthalen-1-ylphenyl)-3-phenylphenyl]anilino)phenyl]naphthalen-1-yl]phenyl]phenyl]-N,N-bis(4-naphthalen-2-ylphenyl)-3-phenylaniline.

Molecular Properties

Compound Name4-[4-[4-[6-[4-(4-naphthalen-2-yl-N-[4-(4-naphthalen-1-ylphenyl)-3-phenylphenyl]anilino)phenyl]naphthalen-1-yl]phenyl]phenyl]-N,N-bis(4-naphthalen-2-ylphenyl)-3-phenylaniline
PubChem CID146496903
Molecular FormulaC116H78N2
Molecular Weight1499.91 g/mol
Exact Mass1498.62
IUPAC Name4-[4-[4-[6-[4-(4-naphthalen-2-yl-N-[4-(4-naphthalen-1-ylphenyl)-3-phenylphenyl]anilino)phenyl]naphthalen-1-yl]phenyl]phenyl]-N,N-bis(4-naphthalen-2-ylphenyl)-3-phenylaniline
SMILESc1ccc(-c2cc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc(-c4ccc5ccccc5c4)cc3)ccc2-c2ccc(-c3ccc(-c4cccc5cc(-c6ccc(N(c7ccc(-c8ccc9ccccc9c8)cc7)c7ccc(-c8ccc(-c9cccc%10ccccc9%10)cc8)c(-c8ccccc8)c7)cc6)ccc45)cc3)cc2)cc1
InChIInChI=1S/C116H78N2/c1-3-20-89(21-4-1)115-77-107(117(103-60-51-84(52-61-103)98-48-37-79-17-7-10-25-95(79)73-98)104-62-53-85(54-63-104)99-49-38-80-18-8-11-26-96(80)74-99)68-71-112(115)93-42-35-83(36-43-93)82-33-40-91(41-34-82)111-32-16-29-102-76-101(59-70-114(102)111)87-57-66-106(67-58-87)118(105-64-55-86(56-65-105)100-50-39-81-19-9-12-27-97(81)75-100)108-69-72-113(116(78-108)90-22-5-2-6-23-90)94-46-44-92(45-47-94)110-31-15-28-88-24-13-14-30-109(88)110/h1-78H
InChIKeyHBNIYSXJXVUNMG-UHFFFAOYSA-N
XLogP32.73
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms118
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001499.91
LogP ≤ 532.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[4-[4-[6-[4-(4-naphthalen-2-yl-N-[4-(4-naphthalen-1-ylphenyl)-3-phenylphenyl]anilino)phenyl]naphthalen-1-yl]phenyl]phenyl]-N,N-bis(4-naphthalen-2-ylphenyl)-3-phenylaniline with MolForge

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Related Compounds

N,N-bis(4-naphthalen-1-ylphenyl)-3,4-diphenylaniline;N,N-bis(4-naphthalen-1-ylphenyl)-3-phenyl-4-(4-phenylphenyl)aniline;N-(4-naphthalen-2-ylphenyl)-4-(2-phenylphenyl)-N,3-bis(4-phenylphenyl)aniline
CID 157345301
N-[4-(3,4-diphenylphenyl)phenyl]-4-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 167003322
N-(4-naphthalen-1-ylphenyl)-3-phenyl-N,4-bis(4-phenylphenyl)aniline
CID 121477367
N,N-bis(4-naphthalen-1-ylphenyl)-4-(7-phenylphenanthren-2-yl)aniline
CID 138742492
N-[4-(2,5-diphenylphenyl)phenyl]-4-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline;N-[4-(2-naphthalen-1-ylphenyl)phenyl]-4-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline;N-[4-(2-naphthalen-2-ylphenyl)phenyl]-4-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 160767900
N-(4-naphthalen-1-ylphenyl)-4-(2-phenylphenyl)-N,3-bis(4-phenylphenyl)aniline;N-(4-naphthalen-1-ylphenyl)-4-(3-phenylphenyl)-N,3-bis(4-phenylphenyl)aniline
CID 158592515
4-[4-(2,5-diphenylphenyl)phenyl]-N,N-bis(4-naphthalen-1-ylphenyl)aniline
CID 167297413
N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 164831821
N-[3-(2,4-diphenylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]phenanthren-2-amine
CID 166659579
4-chrysen-2-yl-3-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 170141753
3-naphthalen-1-yl-N-(4-phenanthren-2-ylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]aniline
CID 172502599
N-(4-benzo[g]phenanthren-4-ylphenyl)-3,4-diphenyl-N-(4-phenylphenyl)aniline
CID 167183300

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[6-[4-(4-naphthalen-2-yl-N-[4-(4-naphthalen-1-ylphenyl)-3-phenylphenyl]anilino)phenyl]naphthalen-1-yl]phenyl]phenyl]-N,N-bis(4-naphthalen-2-ylphenyl)-3-phenylaniline?
The IUPAC name of 4-[4-[4-[6-[4-(4-naphthalen-2-yl-N-[4-(4-naphthalen-1-ylphenyl)-3-phenylphenyl]anilino)phenyl]naphthalen-1-yl]phenyl]phenyl]-N,N-bis(4-naphthalen-2-ylphenyl)-3-phenylaniline (CID 146496903) is 4-[4-[4-[6-[4-(4-naphthalen-2-yl-N-[4-(4-naphthalen-1-ylphenyl)-3-phenylphenyl]anilino)phenyl]naphthalen-1-yl]phenyl]phenyl]-N,N-bis(4-naphthalen-2-ylphenyl)-3-phenylaniline.
What is the SMILES notation for 4-[4-[4-[6-[4-(4-naphthalen-2-yl-N-[4-(4-naphthalen-1-ylphenyl)-3-phenylphenyl]anilino)phenyl]naphthalen-1-yl]phenyl]phenyl]-N,N-bis(4-naphthalen-2-ylphenyl)-3-phenylaniline?
The canonical SMILES for 4-[4-[4-[6-[4-(4-naphthalen-2-yl-N-[4-(4-naphthalen-1-ylphenyl)-3-phenylphenyl]anilino)phenyl]naphthalen-1-yl]phenyl]phenyl]-N,N-bis(4-naphthalen-2-ylphenyl)-3-phenylaniline is c1ccc(-c2cc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc(-c4ccc5ccccc5c4)cc3)ccc2-c2ccc(-c3ccc(-c4cccc5cc(-c6ccc(N(c7ccc(-c8ccc9ccccc9c8)cc7)c7ccc(-c8ccc(-c9cccc%10ccccc9%10)cc8)c(-c8ccccc8)c7)cc6)ccc45)cc3)cc2)cc1.
What is the InChIKey of 4-[4-[4-[6-[4-(4-naphthalen-2-yl-N-[4-(4-naphthalen-1-ylphenyl)-3-phenylphenyl]anilino)phenyl]naphthalen-1-yl]phenyl]phenyl]-N,N-bis(4-naphthalen-2-ylphenyl)-3-phenylaniline?
The InChIKey is HBNIYSXJXVUNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C116H78N2/c1-3-20-89(21-4-1)115-77-107(117(103-60-51-84(52-61-103)98-48-37-79-17-7-10-25-95(79)73-98)104-62-53-85(54-63-104)99-49-38-80-18-8-11-26-96(80)74-99)68-71-112(115)93-42-35-83(36-43-93)82-33-40-91(41-34-82)111-32-16-29-102-76-101(59-70-114(102)111)87-57-66-106(67-58-87)118(105-64-55-86(56-65-105)100-50-39-81-19-9-12-27-97(81)75-100)108-69-72-113(116(78-108)90-22-5-2-6-23-90)94-46-44-92(45-47-94)110-31-15-28-88-24-13-14-30-109(88)110/h1-78H.
What are the key properties of 4-[4-[4-[6-[4-(4-naphthalen-2-yl-N-[4-(4-naphthalen-1-ylphenyl)-3-phenylphenyl]anilino)phenyl]naphthalen-1-yl]phenyl]phenyl]-N,N-bis(4-naphthalen-2-ylphenyl)-3-phenylaniline?
4-[4-[4-[6-[4-(4-naphthalen-2-yl-N-[4-(4-naphthalen-1-ylphenyl)-3-phenylphenyl]anilino)phenyl]naphthalen-1-yl]phenyl]phenyl]-N,N-bis(4-naphthalen-2-ylphenyl)-3-phenylaniline has a molecular weight of 1499.91 g/mol, XLogP of 32.73, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-[6-[4-(4-naphthalen-2-yl-N-[4-(4-naphthalen-1-ylphenyl)-3-phenylphenyl]anilino)phenyl]naphthalen-1-yl]phenyl]phenyl]-N,N-bis(4-naphthalen-2-ylphenyl)-3-phenylaniline is sourced from PubChem (CID 146496903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).