N-[4-[4-[4-(4-butylphenyl)-N-[4-[4-[4-(4-butylphenyl)-N-[4-[2,5-dihexyl-4-(9-methyl-11,11-dioctyl-2-phenylindeno[1,2-b]carbazol-5-yl)phenyl]phenyl]anilino]phenyl]phenyl]anilino]phenyl]phenyl]-N-(4-ethenylphenyl)-4-methylaniline

C137H146N4 — CID 153472810

IUPACN-[4-[4-[4-(4-butylphenyl)-N-[4-[4-[4-(4-butylphenyl)-N-[4-[2,5-dihexyl-4-(9-methyl-11,11-dioctyl-2-phenylindeno[1,2-b]carbazol-5-yl)phenyl]phenyl]anilino]phenyl]phenyl]anilino]phenyl]phenyl]-N-(4-ethenylphenyl)-4-methylaniline
SMILESC=Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(N(c4ccc(-c5ccc(CCCC)cc5)cc4)c4ccc(-c5ccc(N(c6ccc(-c7ccc(CCCC)cc7)cc6)c6ccc(-c7cc(CCCCCC)c(-n8c9ccc(-c%10ccccc%10)cc9c9cc%10c(cc98)-c8ccc(C)cc8C%10(CCCCCCCC)CCCCCCCC)cc7CCCCCC)cc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C137H146N4/c1-10-17-23-27-29-36-92-137(93-37-30-28-24-18-11-2)132-94-101(9)46-90-127(132)129-99-136-131(98-133(129)137)130-95-115(105-40-34-31-35-41-105)71-91-134(130)141(136)135-97-116(42-32-25-19-12-3)128(96-117(135)43-33-26-20-13-4)114-69-88-126(89-70-114)140(124-78-59-109(60-79-124)107-55-49-104(50-56-107)39-22-15-6)125-86-67-113(68-87-125)112-65-84-123(85-66-112)139(121-76-57-108(58-77-121)106-53-47-103(48-54-106)38-21-14-5)122-82-63-111(64-83-122)110-61-80-120(81-62-110)138(118-72-44-100(8)45-73-118)119-74-51-102(16-7)52-75-119/h16,31,34-35,40-41,44-91,94-99H,7,10-15,17-30,32-33,36-39,42-43,92-93H2,1-6,8-9H3
InChIKeyMXRXZFLYICTAQK-UHFFFAOYSA-N
MW1848.70 g/mol
LogP41.15
Rot. Bonds47

About N-[4-[4-[4-(4-butylphenyl)-N-[4-[4-[4-(4-butylphenyl)-N-[4-[2,5-dihexyl-4-(9-methyl-11,11-dioctyl-2-phenylindeno[1,2-b]carbazol-5-yl)phenyl]phenyl]anilino]phenyl]phenyl]anilino]phenyl]phenyl]-N-(4-ethenylphenyl)-4-methylaniline

N-[4-[4-[4-(4-butylphenyl)-N-[4-[4-[4-(4-butylphenyl)-N-[4-[2,5-dihexyl-4-(9-methyl-11,11-dioctyl-2-phenylindeno[1,2-b]carbazol-5-yl)phenyl]phenyl]anilino]phenyl]phenyl]anilino]phenyl]phenyl]-N-(4-ethenylphenyl)-4-methylaniline (PubChem CID 153472810) has the molecular formula C137H146N4 and a molecular weight of 1848.70 g/mol. Its IUPAC name is N-[4-[4-[4-(4-butylphenyl)-N-[4-[4-[4-(4-butylphenyl)-N-[4-[2,5-dihexyl-4-(9-methyl-11,11-dioctyl-2-phenylindeno[1,2-b]carbazol-5-yl)phenyl]phenyl]anilino]phenyl]phenyl]anilino]phenyl]phenyl]-N-(4-ethenylphenyl)-4-methylaniline.

Molecular Properties

Compound NameN-[4-[4-[4-(4-butylphenyl)-N-[4-[4-[4-(4-butylphenyl)-N-[4-[2,5-dihexyl-4-(9-methyl-11,11-dioctyl-2-phenylindeno[1,2-b]carbazol-5-yl)phenyl]phenyl]anilino]phenyl]phenyl]anilino]phenyl]phenyl]-N-(4-ethenylphenyl)-4-methylaniline
PubChem CID153472810
Molecular FormulaC137H146N4
Molecular Weight1848.70 g/mol
Exact Mass1847.15
IUPAC NameN-[4-[4-[4-(4-butylphenyl)-N-[4-[4-[4-(4-butylphenyl)-N-[4-[2,5-dihexyl-4-(9-methyl-11,11-dioctyl-2-phenylindeno[1,2-b]carbazol-5-yl)phenyl]phenyl]anilino]phenyl]phenyl]anilino]phenyl]phenyl]-N-(4-ethenylphenyl)-4-methylaniline
SMILESC=Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(N(c4ccc(-c5ccc(CCCC)cc5)cc4)c4ccc(-c5ccc(N(c6ccc(-c7ccc(CCCC)cc7)cc6)c6ccc(-c7cc(CCCCCC)c(-n8c9ccc(-c%10ccccc%10)cc9c9cc%10c(cc98)-c8ccc(C)cc8C%10(CCCCCCCC)CCCCCCCC)cc7CCCCCC)cc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C137H146N4/c1-10-17-23-27-29-36-92-137(93-37-30-28-24-18-11-2)132-94-101(9)46-90-127(132)129-99-136-131(98-133(129)137)130-95-115(105-40-34-31-35-41-105)71-91-134(130)141(136)135-97-116(42-32-25-19-12-3)128(96-117(135)43-33-26-20-13-4)114-69-88-126(89-70-114)140(124-78-59-109(60-79-124)107-55-49-104(50-56-107)39-22-15-6)125-86-67-113(68-87-125)112-65-84-123(85-66-112)139(121-76-57-108(58-77-121)106-53-47-103(48-54-106)38-21-14-5)122-82-63-111(64-83-122)110-61-80-120(81-62-110)138(118-72-44-100(8)45-73-118)119-74-51-102(16-7)52-75-119/h16,31,34-35,40-41,44-91,94-99H,7,10-15,17-30,32-33,36-39,42-43,92-93H2,1-6,8-9H3
InChIKeyMXRXZFLYICTAQK-UHFFFAOYSA-N
XLogP41.15
TPSA14.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds47
Heavy Atoms141
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001848.70
LogP ≤ 541.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-[4-[4-(4-butylphenyl)-N-[4-[4-[4-(4-butylphenyl)-N-[4-[2,5-dihexyl-4-(9-methyl-11,11-dioctyl-2-phenylindeno[1,2-b]carbazol-5-yl)phenyl]phenyl]anilino]phenyl]phenyl]anilino]phenyl]phenyl]-N-(4-ethenylphenyl)-4-methylaniline with MolForge

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Related Compounds

N-[4-[9-[2,5-dihexyl-4-(9-methyl-11,11-dioctyl-2-phenylindeno[1,2-b]carbazol-5-yl)phenyl]-11,11-dioctyl-2-phenylindeno[1,2-b]carbazol-5-yl]phenyl]-4-methyl-N-(4-phenylphenyl)aniline
CID 153472874
N-[4-[9-[2,5-dihexyl-4-(9-methyl-7,7-dioctyl-2-phenylindeno[2,1-b]carbazol-5-yl)phenyl]-7,7-dioctyl-2-phenylindeno[2,1-b]carbazol-5-yl]phenyl]-4-methyl-N-(4-phenylphenyl)aniline
CID 153472803
N-[4-[5-(4-bromo-2,5-dihexylphenyl)-11,11-dioctyl-2-phenylindeno[1,2-b]carbazol-9-yl]phenyl]-N-(4-bromophenyl)-4-(4-butylphenyl)aniline
CID 153472811
N-[4-[4-(4-tert-butyl-N-[4-(9-methyl-11,11-dioctyl-2-phenylindeno[1,2-b]carbazol-5-yl)phenyl]anilino)phenyl]phenyl]-N-(4-tert-butylphenyl)-4-methylaniline;N-[4-(4-butylphenyl)phenyl]-N-[4-[2,5-dihexyl-4-(9-methyl-7,7-dioctyl-3-phenylindeno[1,2-a]carbazol-12-yl)phenyl]phenyl]-4-methylaniline;N-[4-(4-butylphenyl)phenyl]-N-[4-[2,5-dihexyl-4-(10-methyl-12,12-dioctyl-2-phenylindeno[1,2-c]carbazol-5-yl)phenyl]phenyl]-4-methylaniline
CID 159625126
N-[4-(9,9-didodecyl-7-methylfluoren-2-yl)phenyl]-N-[4-[9-[3-[4-(4-hexylphenyl)phenyl]phenyl]carbazol-3-yl]phenyl]-4-methylaniline
CID 170261213
N-(4-tert-butylphenyl)-N-[4-[10-[2,5-dihexyl-4-(10-methyl-12,12-dioctyl-2-phenylindeno[1,2-c]carbazol-5-yl)phenyl]-12,12-dioctyl-2-phenylindeno[1,2-c]carbazol-5-yl]phenyl]-4-methylaniline
CID 153472822
9,9-bis[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pentyl]-7-[3,6-bis(4-ethenylphenyl)carbazol-9-yl]-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 144690360
N-[7-(9,9-didodecyl-7-methylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-N-[4-[9-(4-hexylphenyl)carbazol-3-yl]phenyl]-7,9,9-trimethylfluoren-2-amine
CID 177287687
N-[4-(9,9-didodecyl-3,7-dimethylfluoren-2-yl)phenyl]-4-methyl-N-[4-[9-[9-(4-pentylphenyl)carbazol-2-yl]carbazol-2-yl]phenyl]aniline
CID 177287449
4-[4-(4-butyl-N-[4-(N-(4-butylphenyl)-4-methylanilino)phenyl]anilino)phenyl]benzaldehyde;4-(7-methyl-9,9-dioctylfluoren-2-yl)benzaldehyde
CID 91409805
1-N,4-N-bis(4-butylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;2,7-dimethyl-9,9-dioctylfluorene
CID 90971481
N-(4-tert-butylphenyl)-N-[4-[5-[2,5-dihexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-11,11-dioctyl-2-phenylindeno[1,2-b]carbazol-9-yl]phenyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
CID 153472833

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[4-(4-butylphenyl)-N-[4-[4-[4-(4-butylphenyl)-N-[4-[2,5-dihexyl-4-(9-methyl-11,11-dioctyl-2-phenylindeno[1,2-b]carbazol-5-yl)phenyl]phenyl]anilino]phenyl]phenyl]anilino]phenyl]phenyl]-N-(4-ethenylphenyl)-4-methylaniline?
The IUPAC name of N-[4-[4-[4-(4-butylphenyl)-N-[4-[4-[4-(4-butylphenyl)-N-[4-[2,5-dihexyl-4-(9-methyl-11,11-dioctyl-2-phenylindeno[1,2-b]carbazol-5-yl)phenyl]phenyl]anilino]phenyl]phenyl]anilino]phenyl]phenyl]-N-(4-ethenylphenyl)-4-methylaniline (CID 153472810) is N-[4-[4-[4-(4-butylphenyl)-N-[4-[4-[4-(4-butylphenyl)-N-[4-[2,5-dihexyl-4-(9-methyl-11,11-dioctyl-2-phenylindeno[1,2-b]carbazol-5-yl)phenyl]phenyl]anilino]phenyl]phenyl]anilino]phenyl]phenyl]-N-(4-ethenylphenyl)-4-methylaniline.
What is the SMILES notation for N-[4-[4-[4-(4-butylphenyl)-N-[4-[4-[4-(4-butylphenyl)-N-[4-[2,5-dihexyl-4-(9-methyl-11,11-dioctyl-2-phenylindeno[1,2-b]carbazol-5-yl)phenyl]phenyl]anilino]phenyl]phenyl]anilino]phenyl]phenyl]-N-(4-ethenylphenyl)-4-methylaniline?
The canonical SMILES for N-[4-[4-[4-(4-butylphenyl)-N-[4-[4-[4-(4-butylphenyl)-N-[4-[2,5-dihexyl-4-(9-methyl-11,11-dioctyl-2-phenylindeno[1,2-b]carbazol-5-yl)phenyl]phenyl]anilino]phenyl]phenyl]anilino]phenyl]phenyl]-N-(4-ethenylphenyl)-4-methylaniline is C=Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(N(c4ccc(-c5ccc(CCCC)cc5)cc4)c4ccc(-c5ccc(N(c6ccc(-c7ccc(CCCC)cc7)cc6)c6ccc(-c7cc(CCCCCC)c(-n8c9ccc(-c%10ccccc%10)cc9c9cc%10c(cc98)-c8ccc(C)cc8C%10(CCCCCCCC)CCCCCCCC)cc7CCCCCC)cc6)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of N-[4-[4-[4-(4-butylphenyl)-N-[4-[4-[4-(4-butylphenyl)-N-[4-[2,5-dihexyl-4-(9-methyl-11,11-dioctyl-2-phenylindeno[1,2-b]carbazol-5-yl)phenyl]phenyl]anilino]phenyl]phenyl]anilino]phenyl]phenyl]-N-(4-ethenylphenyl)-4-methylaniline?
The InChIKey is MXRXZFLYICTAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C137H146N4/c1-10-17-23-27-29-36-92-137(93-37-30-28-24-18-11-2)132-94-101(9)46-90-127(132)129-99-136-131(98-133(129)137)130-95-115(105-40-34-31-35-41-105)71-91-134(130)141(136)135-97-116(42-32-25-19-12-3)128(96-117(135)43-33-26-20-13-4)114-69-88-126(89-70-114)140(124-78-59-109(60-79-124)107-55-49-104(50-56-107)39-22-15-6)125-86-67-113(68-87-125)112-65-84-123(85-66-112)139(121-76-57-108(58-77-121)106-53-47-103(48-54-106)38-21-14-5)122-82-63-111(64-83-122)110-61-80-120(81-62-110)138(118-72-44-100(8)45-73-118)119-74-51-102(16-7)52-75-119/h16,31,34-35,40-41,44-91,94-99H,7,10-15,17-30,32-33,36-39,42-43,92-93H2,1-6,8-9H3.
What are the key properties of N-[4-[4-[4-(4-butylphenyl)-N-[4-[4-[4-(4-butylphenyl)-N-[4-[2,5-dihexyl-4-(9-methyl-11,11-dioctyl-2-phenylindeno[1,2-b]carbazol-5-yl)phenyl]phenyl]anilino]phenyl]phenyl]anilino]phenyl]phenyl]-N-(4-ethenylphenyl)-4-methylaniline?
N-[4-[4-[4-(4-butylphenyl)-N-[4-[4-[4-(4-butylphenyl)-N-[4-[2,5-dihexyl-4-(9-methyl-11,11-dioctyl-2-phenylindeno[1,2-b]carbazol-5-yl)phenyl]phenyl]anilino]phenyl]phenyl]anilino]phenyl]phenyl]-N-(4-ethenylphenyl)-4-methylaniline has a molecular weight of 1848.70 g/mol, XLogP of 41.15, 47 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[4-(4-butylphenyl)-N-[4-[4-[4-(4-butylphenyl)-N-[4-[2,5-dihexyl-4-(9-methyl-11,11-dioctyl-2-phenylindeno[1,2-b]carbazol-5-yl)phenyl]phenyl]anilino]phenyl]phenyl]anilino]phenyl]phenyl]-N-(4-ethenylphenyl)-4-methylaniline is sourced from PubChem (CID 153472810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).