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

C148H108N8 — CID 58151183

IUPACN-[4-[3,6-bis[9-[9-(4-tert-butylphenyl)-6-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]carbazol-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(-n3c4ccc(C5(c6ccc7c(c6)c6cc(-c8cncc(-c9ccc(-n%10c%11ccccc%11c%11ccccc%11%10)cc9)c8)ccc6n7-c6ccc(C(C)(C)C)cc6)c6ccccc6-c6ccccc65)cc4c4cc(C5(c6ccc7c(c6)c6cc(-c8cncc(-c9ccc(-n%10c%11ccccc%11c%11ccccc%11%10)cc9)c8)ccc6n7-c6ccc(C(C)(C)C)cc6)c6ccccc6-c6ccccc65)ccc43)cc2)cc1
InChIInChI=1S/C148H108N8/c1-93-41-59-109(60-42-93)151(110-61-43-94(2)44-62-110)111-71-73-116(74-72-111)156-143-79-57-107(147(131-33-17-9-25-117(131)118-26-10-18-34-132(118)147)105-55-77-141-127(85-105)125-83-97(49-75-139(125)154(141)114-67-51-103(52-68-114)145(3,4)5)101-81-99(89-149-91-101)95-45-63-112(64-46-95)152-135-37-21-13-29-121(135)122-30-14-22-38-136(122)152)87-129(143)130-88-108(58-80-144(130)156)148(133-35-19-11-27-119(133)120-28-12-20-36-134(120)148)106-56-78-142-128(86-106)126-84-98(50-76-140(126)155(142)115-69-53-104(54-70-115)146(6,7)8)102-82-100(90-150-92-102)96-47-65-113(66-48-96)153-137-39-23-15-31-123(137)124-32-16-24-40-138(124)153/h9-92H,1-8H3
InChIKeyNTBDUNZRMMXRIM-UHFFFAOYSA-N
MW1998.55 g/mol
LogP38.04
Rot. Bonds16

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

N-[4-[3,6-bis[9-[9-(4-tert-butylphenyl)-6-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]carbazol-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline (PubChem CID 58151183) has the molecular formula C148H108N8 and a molecular weight of 1998.55 g/mol. Its IUPAC name is N-[4-[3,6-bis[9-[9-(4-tert-butylphenyl)-6-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]carbazol-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline.

Molecular Properties

Compound NameN-[4-[3,6-bis[9-[9-(4-tert-butylphenyl)-6-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]carbazol-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
PubChem CID58151183
Molecular FormulaC148H108N8
Molecular Weight1998.55 g/mol
Exact Mass1996.87
IUPAC NameN-[4-[3,6-bis[9-[9-(4-tert-butylphenyl)-6-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]carbazol-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(-n3c4ccc(C5(c6ccc7c(c6)c6cc(-c8cncc(-c9ccc(-n%10c%11ccccc%11c%11ccccc%11%10)cc9)c8)ccc6n7-c6ccc(C(C)(C)C)cc6)c6ccccc6-c6ccccc65)cc4c4cc(C5(c6ccc7c(c6)c6cc(-c8cncc(-c9ccc(-n%10c%11ccccc%11c%11ccccc%11%10)cc9)c8)ccc6n7-c6ccc(C(C)(C)C)cc6)c6ccccc6-c6ccccc65)ccc43)cc2)cc1
InChIInChI=1S/C148H108N8/c1-93-41-59-109(60-42-93)151(110-61-43-94(2)44-62-110)111-71-73-116(74-72-111)156-143-79-57-107(147(131-33-17-9-25-117(131)118-26-10-18-34-132(118)147)105-55-77-141-127(85-105)125-83-97(49-75-139(125)154(141)114-67-51-103(52-68-114)145(3,4)5)101-81-99(89-149-91-101)95-45-63-112(64-46-95)152-135-37-21-13-29-121(135)122-30-14-22-38-136(122)152)87-129(143)130-88-108(58-80-144(130)156)148(133-35-19-11-27-119(133)120-28-12-20-36-134(120)148)106-56-78-142-128(86-106)126-84-98(50-76-140(126)155(142)115-69-53-104(54-70-115)146(6,7)8)102-82-100(90-150-92-102)96-47-65-113(66-48-96)153-137-39-23-15-31-123(137)124-32-16-24-40-138(124)153/h9-92H,1-8H3
InChIKeyNTBDUNZRMMXRIM-UHFFFAOYSA-N
XLogP38.04
TPSA53.67 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms156
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001998.55
LogP ≤ 538.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3,5-Bis[9-(2-pyrrolidin-1-ylethyl)carbazol-3-yl]phenyl]-9-(2-pyrrolidin-1-ylethyl)carbazole
CID 172450808
3-[3,5-Bis[9-(3-pyrrolidin-1-ylpropyl)carbazol-3-yl]phenyl]-9-(3-pyrrolidin-1-ylpropyl)carbazole
CID 172466876
3-(9,9-Dihexyl-7-pyridin-2-ylfluoren-2-yl)-9-hexylcarbazole
CID 86070330
9-[2',7,7'-Tri(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole
CID 22638507
8-[9-butyl-6-[(E)-2-(9-butylcarbazol-3-yl)ethenyl]carbazol-3-yl]-2,2-difluoro-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene
CID 178298252
5,15-Bis[5-(9,9-dimethylfluoren-2-yl)-1-methylpyridin-1-ium-3-yl]-10,20-bis(1-methylpyridin-1-ium-4-yl)-21,23-dihydroporphyrin
CID 46881112
9-[9,10-Bis(5-tert-butyl-2-pyridinyl)-6-(3,6-difluorocarbazol-9-yl)anthracen-2-yl]-3,6-difluorocarbazole
CID 59357236
9-[6-[3,6-Bis(trifluoromethyl)carbazol-9-yl]-9,10-bis(5-tert-butylpyridin-2-yl)anthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole
CID 59357287
9-(4-Fluorophenyl)-3-[9-(4-fluorophenyl)-6-[9-(4-fluorophenyl)-6-(5-methyl-3-pyridinyl)carbazol-3-yl]carbazol-3-yl]-6-(4-methyl-2-pyridinyl)carbazole
CID 88863161
3-Fluoro-6-[3-[9-(3-fluoro-9,9-dimethylindeno[2,1-b]pyridin-6-yl)carbazol-3-yl]carbazol-9-yl]-9,9-dimethylindeno[2,1-b]pyridine
CID 117726979
N'-benzyl-N-[(4-carbazol-9-ylphenyl)methylidene]-4-fluoro-6-(1,1,3,3-tetramethyl-2H-inden-5-yl)pyridine-3-carboximidamide
CID 138461304
5-[4-[3-Carbazol-9-yl-6-[3-[9-[6-carbazol-9-yl-9-[4-[4-pyridin-4-yl-2,5-bis(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]carbazol-3-yl]carbazol-9-yl]carbazol-9-yl]phenyl]-2-pyridin-2-ylbenzene-1,3-dicarbonitrile
CID 138700397

Frequently Asked Questions

What is the IUPAC name of N-[4-[3,6-bis[9-[9-(4-tert-butylphenyl)-6-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]carbazol-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
The IUPAC name of N-[4-[3,6-bis[9-[9-(4-tert-butylphenyl)-6-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]carbazol-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline (CID 58151183) is N-[4-[3,6-bis[9-[9-(4-tert-butylphenyl)-6-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]carbazol-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline.
What is the SMILES notation for N-[4-[3,6-bis[9-[9-(4-tert-butylphenyl)-6-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]carbazol-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
The canonical SMILES for N-[4-[3,6-bis[9-[9-(4-tert-butylphenyl)-6-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]carbazol-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline is Cc1ccc(N(c2ccc(C)cc2)c2ccc(-n3c4ccc(C5(c6ccc7c(c6)c6cc(-c8cncc(-c9ccc(-n%10c%11ccccc%11c%11ccccc%11%10)cc9)c8)ccc6n7-c6ccc(C(C)(C)C)cc6)c6ccccc6-c6ccccc65)cc4c4cc(C5(c6ccc7c(c6)c6cc(-c8cncc(-c9ccc(-n%10c%11ccccc%11c%11ccccc%11%10)cc9)c8)ccc6n7-c6ccc(C(C)(C)C)cc6)c6ccccc6-c6ccccc65)ccc43)cc2)cc1.
What is the InChIKey of N-[4-[3,6-bis[9-[9-(4-tert-butylphenyl)-6-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]carbazol-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
The InChIKey is NTBDUNZRMMXRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C148H108N8/c1-93-41-59-109(60-42-93)151(110-61-43-94(2)44-62-110)111-71-73-116(74-72-111)156-143-79-57-107(147(131-33-17-9-25-117(131)118-26-10-18-34-132(118)147)105-55-77-141-127(85-105)125-83-97(49-75-139(125)154(141)114-67-51-103(52-68-114)145(3,4)5)101-81-99(89-149-91-101)95-45-63-112(64-46-95)152-135-37-21-13-29-121(135)122-30-14-22-38-136(122)152)87-129(143)130-88-108(58-80-144(130)156)148(133-35-19-11-27-119(133)120-28-12-20-36-134(120)148)106-56-78-142-128(86-106)126-84-98(50-76-140(126)155(142)115-69-53-104(54-70-115)146(6,7)8)102-82-100(90-150-92-102)96-47-65-113(66-48-96)153-137-39-23-15-31-123(137)124-32-16-24-40-138(124)153/h9-92H,1-8H3.
What are the key properties of N-[4-[3,6-bis[9-[9-(4-tert-butylphenyl)-6-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]carbazol-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
N-[4-[3,6-bis[9-[9-(4-tert-butylphenyl)-6-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]carbazol-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline has a molecular weight of 1998.55 g/mol, XLogP of 38.04, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3,6-bis[9-[9-(4-tert-butylphenyl)-6-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]carbazol-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline is sourced from PubChem (CID 58151183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).