N-[4-[4-[3-tert-butyl-6-[2-[6-tert-butyl-9,10-bis[4-(N-naphthalen-1-ylanilino)phenyl]anthracen-2-yl]-2-methylpropyl]-10-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]anthracen-9-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine

C140H110N4 — CID 146603265

IUPACN-[4-[4-[3-tert-butyl-6-[2-[6-tert-butyl-9,10-bis[4-(N-naphthalen-1-ylanilino)phenyl]anthracen-2-yl]-2-methylpropyl]-10-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]anthracen-9-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
SMILESCC(C)(C)c1ccc2c(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)c3cc(C(C)(C)Cc4ccc5c(-c6ccc(-c7ccc(N(c8ccccc8)c8cccc9ccccc89)cc7)cc6)c6ccc(C(C)(C)C)cc6c(-c6ccc(-c7ccc(N(c8ccccc8)c8cccc9ccccc89)cc7)cc6)c5c4)ccc3c(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)c2c1
InChIInChI=1S/C140H110N4/c1-138(2,3)107-75-87-124-127(90-107)135(105-70-81-116(82-71-105)143(112-45-17-11-18-46-112)132-55-31-39-101-35-23-27-51-120(101)132)125-88-76-109(92-129(125)136(124)106-72-83-117(84-73-106)144(113-47-19-12-20-48-113)133-56-32-40-102-36-24-28-52-121(102)133)140(7,8)93-94-57-85-122-126(89-94)137(104-64-60-96(61-65-104)98-68-79-115(80-69-98)142(111-43-15-10-16-44-111)131-54-30-38-100-34-22-26-50-119(100)131)128-91-108(139(4,5)6)74-86-123(128)134(122)103-62-58-95(59-63-103)97-66-77-114(78-67-97)141(110-41-13-9-14-42-110)130-53-29-37-99-33-21-25-49-118(99)130/h9-92H,93H2,1-8H3
InChIKeyMSIWACFYCYTEEQ-UHFFFAOYSA-N
MW1848.45 g/mol
LogP39.91
Rot. Bonds21

About N-[4-[4-[3-tert-butyl-6-[2-[6-tert-butyl-9,10-bis[4-(N-naphthalen-1-ylanilino)phenyl]anthracen-2-yl]-2-methylpropyl]-10-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]anthracen-9-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine

N-[4-[4-[3-tert-butyl-6-[2-[6-tert-butyl-9,10-bis[4-(N-naphthalen-1-ylanilino)phenyl]anthracen-2-yl]-2-methylpropyl]-10-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]anthracen-9-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine (PubChem CID 146603265) has the molecular formula C140H110N4 and a molecular weight of 1848.45 g/mol. Its IUPAC name is N-[4-[4-[3-tert-butyl-6-[2-[6-tert-butyl-9,10-bis[4-(N-naphthalen-1-ylanilino)phenyl]anthracen-2-yl]-2-methylpropyl]-10-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]anthracen-9-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine.

Molecular Properties

Compound NameN-[4-[4-[3-tert-butyl-6-[2-[6-tert-butyl-9,10-bis[4-(N-naphthalen-1-ylanilino)phenyl]anthracen-2-yl]-2-methylpropyl]-10-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]anthracen-9-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
PubChem CID146603265
Molecular FormulaC140H110N4
Molecular Weight1848.45 g/mol
Exact Mass1846.87
IUPAC NameN-[4-[4-[3-tert-butyl-6-[2-[6-tert-butyl-9,10-bis[4-(N-naphthalen-1-ylanilino)phenyl]anthracen-2-yl]-2-methylpropyl]-10-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]anthracen-9-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
SMILESCC(C)(C)c1ccc2c(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)c3cc(C(C)(C)Cc4ccc5c(-c6ccc(-c7ccc(N(c8ccccc8)c8cccc9ccccc89)cc7)cc6)c6ccc(C(C)(C)C)cc6c(-c6ccc(-c7ccc(N(c8ccccc8)c8cccc9ccccc89)cc7)cc6)c5c4)ccc3c(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)c2c1
InChIInChI=1S/C140H110N4/c1-138(2,3)107-75-87-124-127(90-107)135(105-70-81-116(82-71-105)143(112-45-17-11-18-46-112)132-55-31-39-101-35-23-27-51-120(101)132)125-88-76-109(92-129(125)136(124)106-72-83-117(84-73-106)144(113-47-19-12-20-48-113)133-56-32-40-102-36-24-28-52-121(102)133)140(7,8)93-94-57-85-122-126(89-94)137(104-64-60-96(61-65-104)98-68-79-115(80-69-98)142(111-43-15-10-16-44-111)131-54-30-38-100-34-22-26-50-119(100)131)128-91-108(139(4,5)6)74-86-123(128)134(122)103-62-58-95(59-63-103)97-66-77-114(78-67-97)141(110-41-13-9-14-42-110)130-53-29-37-99-33-21-25-49-118(99)130/h9-92H,93H2,1-8H3
InChIKeyMSIWACFYCYTEEQ-UHFFFAOYSA-N
XLogP39.91
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms144
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001848.45
LogP ≤ 539.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze N-[4-[4-[3-tert-butyl-6-[2-[6-tert-butyl-9,10-bis[4-(N-naphthalen-1-ylanilino)phenyl]anthracen-2-yl]-2-methylpropyl]-10-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]anthracen-9-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine with MolForge

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Related Compounds

N-[4-[4-[4-[N-(4-tert-butylphenyl)-4-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-[4-[N-naphthalen-1-yl-4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]anilino]phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 159251897
2-N,6-N-bis(4-tert-butylphenyl)-9,10-bis(3,5-dimethylphenyl)-2-N,6-N-bis(4-trimethylsilylphenyl)anthracene-2,6-diamine;9,10-bis(3,5-dimethylphenyl)-2-N,6-N-dinaphthalen-1-yl-2-N,6-N-diphenylanthracene-2,6-diamine;9,10-bis(3,5-dimethylphenyl)-2-N,6-N-diphenyl-2-N,6-N-bis(4-phenylphenyl)anthracene-2,6-diamine;9,10-diphenyl-2-N,2-N,6-N,6-N-tetrakis(4-trimethylsilylphenyl)anthracene-2,6-diamine
CID 158840972
2-N,6-N-dinaphthalen-1-yl-2-N,6-N,9,10-tetraphenylanthracene-2,6-diamine;2-N,2-N,6-N,6-N,9,10-hexakis-phenylanthracene-2,6-diamine
CID 159869915
N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 59650467
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
2,6-ditert-butyl-9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene
CID 140869806
naphthalene;2-N-naphthalen-1-yl-2-N,6-N,9-triphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine
CID 160961200
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-naphthalen-1-ylphenanthren-2-amine
CID 169064424
2-N,7-N-dinaphthalen-1-yl-2-N-[4-[4-[naphthalen-1-yl-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]amino]phenyl]phenyl]-7-N-phenylphenanthrene-2,7-diamine
CID 58807472
6-tert-butyl-1-N,1-N,4-N,4-N-tetrakis(4-phenylphenyl)naphthalene-1,4-diamine
CID 59133377
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

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[3-tert-butyl-6-[2-[6-tert-butyl-9,10-bis[4-(N-naphthalen-1-ylanilino)phenyl]anthracen-2-yl]-2-methylpropyl]-10-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]anthracen-9-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine?
The IUPAC name of N-[4-[4-[3-tert-butyl-6-[2-[6-tert-butyl-9,10-bis[4-(N-naphthalen-1-ylanilino)phenyl]anthracen-2-yl]-2-methylpropyl]-10-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]anthracen-9-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine (CID 146603265) is N-[4-[4-[3-tert-butyl-6-[2-[6-tert-butyl-9,10-bis[4-(N-naphthalen-1-ylanilino)phenyl]anthracen-2-yl]-2-methylpropyl]-10-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]anthracen-9-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine.
What is the SMILES notation for N-[4-[4-[3-tert-butyl-6-[2-[6-tert-butyl-9,10-bis[4-(N-naphthalen-1-ylanilino)phenyl]anthracen-2-yl]-2-methylpropyl]-10-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]anthracen-9-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine?
The canonical SMILES for N-[4-[4-[3-tert-butyl-6-[2-[6-tert-butyl-9,10-bis[4-(N-naphthalen-1-ylanilino)phenyl]anthracen-2-yl]-2-methylpropyl]-10-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]anthracen-9-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine is CC(C)(C)c1ccc2c(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)c3cc(C(C)(C)Cc4ccc5c(-c6ccc(-c7ccc(N(c8ccccc8)c8cccc9ccccc89)cc7)cc6)c6ccc(C(C)(C)C)cc6c(-c6ccc(-c7ccc(N(c8ccccc8)c8cccc9ccccc89)cc7)cc6)c5c4)ccc3c(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)c2c1.
What is the InChIKey of N-[4-[4-[3-tert-butyl-6-[2-[6-tert-butyl-9,10-bis[4-(N-naphthalen-1-ylanilino)phenyl]anthracen-2-yl]-2-methylpropyl]-10-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]anthracen-9-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine?
The InChIKey is MSIWACFYCYTEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C140H110N4/c1-138(2,3)107-75-87-124-127(90-107)135(105-70-81-116(82-71-105)143(112-45-17-11-18-46-112)132-55-31-39-101-35-23-27-51-120(101)132)125-88-76-109(92-129(125)136(124)106-72-83-117(84-73-106)144(113-47-19-12-20-48-113)133-56-32-40-102-36-24-28-52-121(102)133)140(7,8)93-94-57-85-122-126(89-94)137(104-64-60-96(61-65-104)98-68-79-115(80-69-98)142(111-43-15-10-16-44-111)131-54-30-38-100-34-22-26-50-119(100)131)128-91-108(139(4,5)6)74-86-123(128)134(122)103-62-58-95(59-63-103)97-66-77-114(78-67-97)141(110-41-13-9-14-42-110)130-53-29-37-99-33-21-25-49-118(99)130/h9-92H,93H2,1-8H3.
What are the key properties of N-[4-[4-[3-tert-butyl-6-[2-[6-tert-butyl-9,10-bis[4-(N-naphthalen-1-ylanilino)phenyl]anthracen-2-yl]-2-methylpropyl]-10-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]anthracen-9-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine?
N-[4-[4-[3-tert-butyl-6-[2-[6-tert-butyl-9,10-bis[4-(N-naphthalen-1-ylanilino)phenyl]anthracen-2-yl]-2-methylpropyl]-10-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]anthracen-9-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine has a molecular weight of 1848.45 g/mol, XLogP of 39.91, 21 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[3-tert-butyl-6-[2-[6-tert-butyl-9,10-bis[4-(N-naphthalen-1-ylanilino)phenyl]anthracen-2-yl]-2-methylpropyl]-10-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]anthracen-9-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine is sourced from PubChem (CID 146603265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).