4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-N,N-bis[4-[9-[9-(4-tert-butylphenyl)-6-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]phenyl]aniline

C160H126N8 — CID 58151192

IUPAC4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-N,N-bis[4-[9-[9-(4-tert-butylphenyl)-6-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]phenyl]aniline
SMILESCC(C)(C)c1ccc(N(c2ccc(-c3ccc(N(c4ccc(C5(c6ccc7c(c6)c6cc(-c8cncc(-c9ccc(-n%10c%11ccccc%11c%11ccccc%11%10)cc9)c8)ccc6n7-c6ccc(C(C)(C)C)cc6)c6ccccc6-c6ccccc65)cc4)c4ccc(C5(c6ccc7c(c6)c6cc(-c8cncc(-c9ccc(-n%10c%11ccccc%11c%11ccccc%11%10)cc9)c8)ccc6n7-c6ccc(C(C)(C)C)cc6)c6ccccc6-c6ccccc65)cc4)cc3)cc2)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C160H126N8/c1-155(2,3)113-55-77-123(78-56-113)163(124-79-57-114(58-80-124)156(4,5)6)121-69-45-103(46-70-121)104-47-71-122(72-48-104)164(125-85-63-117(64-86-125)159(143-37-21-13-29-131(143)132-30-14-22-38-144(132)159)119-67-91-153-141(97-119)139-95-107(53-89-151(139)167(153)129-81-59-115(60-82-129)157(7,8)9)111-93-109(99-161-101-111)105-49-73-127(74-50-105)165-147-41-25-17-33-135(147)136-34-18-26-42-148(136)165)126-87-65-118(66-88-126)160(145-39-23-15-31-133(145)134-32-16-24-40-146(134)160)120-68-92-154-142(98-120)140-96-108(54-90-152(140)168(154)130-83-61-116(62-84-130)158(10,11)12)112-94-110(100-162-102-112)106-51-75-128(76-52-106)166-149-43-27-19-35-137(149)138-36-20-28-44-150(138)166/h13-102H,1-12H3
InChIKeyVNGJQFOKEMEGTQ-UHFFFAOYSA-N
MW2160.82 g/mol
LogP42.06
Rot. Bonds19

About 4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-N,N-bis[4-[9-[9-(4-tert-butylphenyl)-6-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]phenyl]aniline

4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-N,N-bis[4-[9-[9-(4-tert-butylphenyl)-6-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]phenyl]aniline (PubChem CID 58151192) has the molecular formula C160H126N8 and a molecular weight of 2160.82 g/mol. Its IUPAC name is 4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-N,N-bis[4-[9-[9-(4-tert-butylphenyl)-6-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]phenyl]aniline.

Molecular Properties

Compound Name4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-N,N-bis[4-[9-[9-(4-tert-butylphenyl)-6-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]phenyl]aniline
PubChem CID58151192
Molecular FormulaC160H126N8
Molecular Weight2160.82 g/mol
Exact Mass2159.01
IUPAC Name4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-N,N-bis[4-[9-[9-(4-tert-butylphenyl)-6-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]phenyl]aniline
SMILESCC(C)(C)c1ccc(N(c2ccc(-c3ccc(N(c4ccc(C5(c6ccc7c(c6)c6cc(-c8cncc(-c9ccc(-n%10c%11ccccc%11c%11ccccc%11%10)cc9)c8)ccc6n7-c6ccc(C(C)(C)C)cc6)c6ccccc6-c6ccccc65)cc4)c4ccc(C5(c6ccc7c(c6)c6cc(-c8cncc(-c9ccc(-n%10c%11ccccc%11c%11ccccc%11%10)cc9)c8)ccc6n7-c6ccc(C(C)(C)C)cc6)c6ccccc6-c6ccccc65)cc4)cc3)cc2)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C160H126N8/c1-155(2,3)113-55-77-123(78-56-113)163(124-79-57-114(58-80-124)156(4,5)6)121-69-45-103(46-70-121)104-47-71-122(72-48-104)164(125-85-63-117(64-86-125)159(143-37-21-13-29-131(143)132-30-14-22-38-144(132)159)119-67-91-153-141(97-119)139-95-107(53-89-151(139)167(153)129-81-59-115(60-82-129)157(7,8)9)111-93-109(99-161-101-111)105-49-73-127(74-50-105)165-147-41-25-17-33-135(147)136-34-18-26-42-148(136)165)126-87-65-118(66-88-126)160(145-39-23-15-31-133(145)134-32-16-24-40-146(134)160)120-68-92-154-142(98-120)140-96-108(54-90-152(140)168(154)130-83-61-116(62-84-130)158(10,11)12)112-94-110(100-162-102-112)106-51-75-128(76-52-106)166-149-43-27-19-35-137(149)138-36-20-28-44-150(138)166/h13-102H,1-12H3
InChIKeyVNGJQFOKEMEGTQ-UHFFFAOYSA-N
XLogP42.06
TPSA51.98 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms168
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002160.82
LogP ≤ 542.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-N,N-bis[4-[9-[9-(4-tert-butylphenyl)-6-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]phenyl]aniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-N,N-bis[4-[9-[9-(4-tert-butylphenyl)-6-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]phenyl]aniline?
The IUPAC name of 4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-N,N-bis[4-[9-[9-(4-tert-butylphenyl)-6-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]phenyl]aniline (CID 58151192) is 4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-N,N-bis[4-[9-[9-(4-tert-butylphenyl)-6-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]phenyl]aniline.
What is the SMILES notation for 4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-N,N-bis[4-[9-[9-(4-tert-butylphenyl)-6-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]phenyl]aniline?
The canonical SMILES for 4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-N,N-bis[4-[9-[9-(4-tert-butylphenyl)-6-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]phenyl]aniline is CC(C)(C)c1ccc(N(c2ccc(-c3ccc(N(c4ccc(C5(c6ccc7c(c6)c6cc(-c8cncc(-c9ccc(-n%10c%11ccccc%11c%11ccccc%11%10)cc9)c8)ccc6n7-c6ccc(C(C)(C)C)cc6)c6ccccc6-c6ccccc65)cc4)c4ccc(C5(c6ccc7c(c6)c6cc(-c8cncc(-c9ccc(-n%10c%11ccccc%11c%11ccccc%11%10)cc9)c8)ccc6n7-c6ccc(C(C)(C)C)cc6)c6ccccc6-c6ccccc65)cc4)cc3)cc2)c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-N,N-bis[4-[9-[9-(4-tert-butylphenyl)-6-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]phenyl]aniline?
The InChIKey is VNGJQFOKEMEGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C160H126N8/c1-155(2,3)113-55-77-123(78-56-113)163(124-79-57-114(58-80-124)156(4,5)6)121-69-45-103(46-70-121)104-47-71-122(72-48-104)164(125-85-63-117(64-86-125)159(143-37-21-13-29-131(143)132-30-14-22-38-144(132)159)119-67-91-153-141(97-119)139-95-107(53-89-151(139)167(153)129-81-59-115(60-82-129)157(7,8)9)111-93-109(99-161-101-111)105-49-73-127(74-50-105)165-147-41-25-17-33-135(147)136-34-18-26-42-148(136)165)126-87-65-118(66-88-126)160(145-39-23-15-31-133(145)134-32-16-24-40-146(134)160)120-68-92-154-142(98-120)140-96-108(54-90-152(140)168(154)130-83-61-116(62-84-130)158(10,11)12)112-94-110(100-162-102-112)106-51-75-128(76-52-106)166-149-43-27-19-35-137(149)138-36-20-28-44-150(138)166/h13-102H,1-12H3.
What are the key properties of 4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-N,N-bis[4-[9-[9-(4-tert-butylphenyl)-6-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]phenyl]aniline?
4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-N,N-bis[4-[9-[9-(4-tert-butylphenyl)-6-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]phenyl]aniline has a molecular weight of 2160.82 g/mol, XLogP of 42.06, 19 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-N,N-bis[4-[9-[9-(4-tert-butylphenyl)-6-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]phenyl]aniline is sourced from PubChem (CID 58151192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).