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

C126H145N3 — CID 153472803

IUPACN-[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
SMILESCCCCCCCCC1(CCCCCCCC)c2cc(-c3cc(CCCCCC)c(-n4c5ccc(-c6ccccc6)cc5c5cc6c(cc54)C(CCCCCCCC)(CCCCCCCC)c4cc(C)ccc4-6)cc3CCCCCC)ccc2-c2cc3c4cc(-c5ccccc5)ccc4n(-c4ccc(N(c5ccc(C)cc5)c5ccc(-c6ccccc6)cc5)cc4)c3cc21
InChIInChI=1S/C126H145N3/c1-9-15-21-27-31-46-78-125(79-47-32-28-22-16-10-2)116-82-93(8)60-74-107(116)110-89-115-113-84-99(96-54-44-37-45-55-96)65-77-121(113)129(124(115)91-119(110)125)122-87-100(56-38-25-19-13-5)109(85-102(122)57-39-26-20-14-6)101-63-75-108-111-88-114-112-83-98(95-52-42-36-43-53-95)64-76-120(112)128(123(114)90-118(111)126(117(108)86-101,80-48-33-29-23-17-11-3)81-49-34-30-24-18-12-4)106-72-70-105(71-73-106)127(103-66-58-92(7)59-67-103)104-68-61-97(62-69-104)94-50-40-35-41-51-94/h35-37,40-45,50-55,58-77,82-91H,9-34,38-39,46-49,56-57,78-81H2,1-8H3
InChIKeyMZNGJPFLJWOSSU-UHFFFAOYSA-N
MW1701.57 g/mol
LogP38.42
Rot. Bonds47

About 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

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 (PubChem CID 153472803) has the molecular formula C126H145N3 and a molecular weight of 1701.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID153472803
Molecular FormulaC126H145N3
Molecular Weight1701.57 g/mol
Exact Mass1700.14
IUPAC NameN-[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
SMILESCCCCCCCCC1(CCCCCCCC)c2cc(-c3cc(CCCCCC)c(-n4c5ccc(-c6ccccc6)cc5c5cc6c(cc54)C(CCCCCCCC)(CCCCCCCC)c4cc(C)ccc4-6)cc3CCCCCC)ccc2-c2cc3c4cc(-c5ccccc5)ccc4n(-c4ccc(N(c5ccc(C)cc5)c5ccc(-c6ccccc6)cc5)cc4)c3cc21
InChIInChI=1S/C126H145N3/c1-9-15-21-27-31-46-78-125(79-47-32-28-22-16-10-2)116-82-93(8)60-74-107(116)110-89-115-113-84-99(96-54-44-37-45-55-96)65-77-121(113)129(124(115)91-119(110)125)122-87-100(56-38-25-19-13-5)109(85-102(122)57-39-26-20-14-6)101-63-75-108-111-88-114-112-83-98(95-52-42-36-43-53-95)64-76-120(112)128(123(114)90-118(111)126(117(108)86-101,80-48-33-29-23-17-11-3)81-49-34-30-24-18-12-4)106-72-70-105(71-73-106)127(103-66-58-92(7)59-67-103)104-68-61-97(62-69-104)94-50-40-35-41-51-94/h35-37,40-45,50-55,58-77,82-91H,9-34,38-39,46-49,56-57,78-81H2,1-8H3
InChIKeyMZNGJPFLJWOSSU-UHFFFAOYSA-N
XLogP38.42
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds47
Heavy Atoms129
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001701.57
LogP ≤ 538.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 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 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-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
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
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-[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-(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-[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-(6,7-dimethyl-9,9-dioctylfluoren-2-yl)phenyl]-4-methyl-N-[4-[9-[4-[4-(N-phenylanilino)phenyl]phenyl]carbazol-2-yl]phenyl]aniline
CID 177287476
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
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
9,9-dihexyl-7-[2-methyl-7-[7-methyl-9-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]carbazol-2-yl]carbazol-9-yl]-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 134212481
N-[4-[9,9-dihexyl-7-[4-(N-(4-methylphenyl)anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-phenylaniline
CID 58251082

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCCCCCC1(CCCCCCCC)c2cc(-c3cc(CCCCCC)c(-n4c5ccc(-c6ccccc6)cc5c5cc6c(cc54)C(CCCCCCCC)(CCCCCCCC)c4cc(C)ccc4-6)cc3CCCCCC)ccc2-c2cc3c4cc(-c5ccccc5)ccc4n(-c4ccc(N(c5ccc(C)cc5)c5ccc(-c6ccccc6)cc5)cc4)c3cc21.
What is the InChIKey of 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?
The InChIKey is MZNGJPFLJWOSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C126H145N3/c1-9-15-21-27-31-46-78-125(79-47-32-28-22-16-10-2)116-82-93(8)60-74-107(116)110-89-115-113-84-99(96-54-44-37-45-55-96)65-77-121(113)129(124(115)91-119(110)125)122-87-100(56-38-25-19-13-5)109(85-102(122)57-39-26-20-14-6)101-63-75-108-111-88-114-112-83-98(95-52-42-36-43-53-95)64-76-120(112)128(123(114)90-118(111)126(117(108)86-101,80-48-33-29-23-17-11-3)81-49-34-30-24-18-12-4)106-72-70-105(71-73-106)127(103-66-58-92(7)59-67-103)104-68-61-97(62-69-104)94-50-40-35-41-51-94/h35-37,40-45,50-55,58-77,82-91H,9-34,38-39,46-49,56-57,78-81H2,1-8H3.
What are the key properties of 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?
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 has a molecular weight of 1701.57 g/mol, XLogP of 38.42, 47 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 153472803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).