1-N-[4-[4-(N-naphthalen-1-ylanilino)-N-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]-1-N,4-N,4-N-tris[4-(N-naphthalen-1-ylanilino)phenyl]benzene-1,4-diamine

C122H88N8 — CID 122607218

IUPAC1-N-[4-[4-(N-naphthalen-1-ylanilino)-N-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]-1-N,4-N,4-N-tris[4-(N-naphthalen-1-ylanilino)phenyl]benzene-1,4-diamine
SMILESc1ccc(N(c2ccc(N(c3ccc(N(c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4)c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4)cc3)c3ccc(N(c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4)c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4)cc3)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C122H88N8/c1-6-41-94(42-7-1)126(118-56-26-36-89-31-16-21-51-113(89)118)108-79-69-103(70-80-108)123(99-61-65-101(66-62-99)124(104-71-81-109(82-72-104)127(95-43-8-2-9-44-95)119-57-27-37-90-32-17-22-52-114(90)119)105-73-83-110(84-74-105)128(96-45-10-3-11-46-96)120-58-28-38-91-33-18-23-53-115(91)120)100-63-67-102(68-64-100)125(106-75-85-111(86-76-106)129(97-47-12-4-13-48-97)121-59-29-39-92-34-19-24-54-116(92)121)107-77-87-112(88-78-107)130(98-49-14-5-15-50-98)122-60-30-40-93-35-20-25-55-117(93)122/h1-88H
InChIKeyGXRFUVWKIKLTRK-UHFFFAOYSA-N
MW1666.10 g/mol
LogP35.21
Rot. Bonds24

About 1-N-[4-[4-(N-naphthalen-1-ylanilino)-N-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]-1-N,4-N,4-N-tris[4-(N-naphthalen-1-ylanilino)phenyl]benzene-1,4-diamine

1-N-[4-[4-(N-naphthalen-1-ylanilino)-N-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]-1-N,4-N,4-N-tris[4-(N-naphthalen-1-ylanilino)phenyl]benzene-1,4-diamine (PubChem CID 122607218) has the molecular formula C122H88N8 and a molecular weight of 1666.10 g/mol. Its IUPAC name is 1-N-[4-[4-(N-naphthalen-1-ylanilino)-N-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]-1-N,4-N,4-N-tris[4-(N-naphthalen-1-ylanilino)phenyl]benzene-1,4-diamine.

Molecular Properties

Compound Name1-N-[4-[4-(N-naphthalen-1-ylanilino)-N-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]-1-N,4-N,4-N-tris[4-(N-naphthalen-1-ylanilino)phenyl]benzene-1,4-diamine
PubChem CID122607218
Molecular FormulaC122H88N8
Molecular Weight1666.10 g/mol
Exact Mass1664.71
IUPAC Name1-N-[4-[4-(N-naphthalen-1-ylanilino)-N-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]-1-N,4-N,4-N-tris[4-(N-naphthalen-1-ylanilino)phenyl]benzene-1,4-diamine
SMILESc1ccc(N(c2ccc(N(c3ccc(N(c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4)c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4)cc3)c3ccc(N(c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4)c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4)cc3)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C122H88N8/c1-6-41-94(42-7-1)126(118-56-26-36-89-31-16-21-51-113(89)118)108-79-69-103(70-80-108)123(99-61-65-101(66-62-99)124(104-71-81-109(82-72-104)127(95-43-8-2-9-44-95)119-57-27-37-90-32-17-22-52-114(90)119)105-73-83-110(84-74-105)128(96-45-10-3-11-46-96)120-58-28-38-91-33-18-23-53-115(91)120)100-63-67-102(68-64-100)125(106-75-85-111(86-76-106)129(97-47-12-4-13-48-97)121-59-29-39-92-34-19-24-54-116(92)121)107-77-87-112(88-78-107)130(98-49-14-5-15-50-98)122-60-30-40-93-35-20-25-55-117(93)122/h1-88H
InChIKeyGXRFUVWKIKLTRK-UHFFFAOYSA-N
XLogP35.21
TPSA25.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds24
Heavy Atoms130
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001666.10
LogP ≤ 535.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-N-[4-[4-(N-naphthalen-1-ylanilino)-N-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]-1-N,4-N,4-N-tris[4-(N-naphthalen-1-ylanilino)phenyl]benzene-1,4-diamine with MolForge

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Related Compounds

4-N-naphthalen-1-yl-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 22218375
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 87744556
N,N-diphenylnaphthalen-1-amine
CID 11392281
N,N-diphenyl-4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]aniline;N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;N-phenyl-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]naphthalen-1-amine
CID 160952409
N-[4-[4-(N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 161384258
N-[4-[4-[4-(N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-(N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]aniline
CID 162077665
N-(4-phenylphenyl)-N-[4-[4-[4-(N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]naphthalen-1-amine
CID 58729730
N-[4-[4-[N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-4-[4-[4-(N-[4-[4-(N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 155471012
N-[4-[4-(N-[4-[4-[N-naphthalen-1-yl-4-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]phenyl]-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 58713806
N-phenyl-N-[4-[4-(4-phenyl-N-[4-[4-[4-[4-(4-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]anilino)phenyl]phenyl]naphthalen-1-amine
CID 134455282
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]phenyl]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 58612738
1,1'-biphenyl;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 172802336

Frequently Asked Questions

What is the IUPAC name of 1-N-[4-[4-(N-naphthalen-1-ylanilino)-N-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]-1-N,4-N,4-N-tris[4-(N-naphthalen-1-ylanilino)phenyl]benzene-1,4-diamine?
The IUPAC name of 1-N-[4-[4-(N-naphthalen-1-ylanilino)-N-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]-1-N,4-N,4-N-tris[4-(N-naphthalen-1-ylanilino)phenyl]benzene-1,4-diamine (CID 122607218) is 1-N-[4-[4-(N-naphthalen-1-ylanilino)-N-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]-1-N,4-N,4-N-tris[4-(N-naphthalen-1-ylanilino)phenyl]benzene-1,4-diamine.
What is the SMILES notation for 1-N-[4-[4-(N-naphthalen-1-ylanilino)-N-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]-1-N,4-N,4-N-tris[4-(N-naphthalen-1-ylanilino)phenyl]benzene-1,4-diamine?
The canonical SMILES for 1-N-[4-[4-(N-naphthalen-1-ylanilino)-N-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]-1-N,4-N,4-N-tris[4-(N-naphthalen-1-ylanilino)phenyl]benzene-1,4-diamine is c1ccc(N(c2ccc(N(c3ccc(N(c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4)c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4)cc3)c3ccc(N(c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4)c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4)cc3)cc2)c2cccc3ccccc23)cc1.
What is the InChIKey of 1-N-[4-[4-(N-naphthalen-1-ylanilino)-N-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]-1-N,4-N,4-N-tris[4-(N-naphthalen-1-ylanilino)phenyl]benzene-1,4-diamine?
The InChIKey is GXRFUVWKIKLTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C122H88N8/c1-6-41-94(42-7-1)126(118-56-26-36-89-31-16-21-51-113(89)118)108-79-69-103(70-80-108)123(99-61-65-101(66-62-99)124(104-71-81-109(82-72-104)127(95-43-8-2-9-44-95)119-57-27-37-90-32-17-22-52-114(90)119)105-73-83-110(84-74-105)128(96-45-10-3-11-46-96)120-58-28-38-91-33-18-23-53-115(91)120)100-63-67-102(68-64-100)125(106-75-85-111(86-76-106)129(97-47-12-4-13-48-97)121-59-29-39-92-34-19-24-54-116(92)121)107-77-87-112(88-78-107)130(98-49-14-5-15-50-98)122-60-30-40-93-35-20-25-55-117(93)122/h1-88H.
What are the key properties of 1-N-[4-[4-(N-naphthalen-1-ylanilino)-N-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]-1-N,4-N,4-N-tris[4-(N-naphthalen-1-ylanilino)phenyl]benzene-1,4-diamine?
1-N-[4-[4-(N-naphthalen-1-ylanilino)-N-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]-1-N,4-N,4-N-tris[4-(N-naphthalen-1-ylanilino)phenyl]benzene-1,4-diamine has a molecular weight of 1666.10 g/mol, XLogP of 35.21, 24 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[4-[4-(N-naphthalen-1-ylanilino)-N-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]-1-N,4-N,4-N-tris[4-(N-naphthalen-1-ylanilino)phenyl]benzene-1,4-diamine is sourced from PubChem (CID 122607218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).