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

C124H149N3 — CID 153472822

IUPACN-(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
SMILESCCCCCCCCC1(CCCCCCCC)c2cc(-c3cc(CCCCCC)c(-n4c5ccc(-c6ccccc6)cc5c5c6c(ccc54)-c4ccc(C)cc4C6(CCCCCCCC)CCCCCCCC)cc3CCCCCC)ccc2-c2ccc3c(c21)c1cc(-c2ccccc2)ccc1n3-c1ccc(N(c2ccc(C)cc2)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C124H149N3/c1-12-18-24-30-34-46-80-123(81-47-35-31-25-19-13-2)111-84-91(8)58-72-104(111)106-75-79-116-119(121(106)123)110-86-95(93-52-44-39-45-53-93)61-77-114(110)127(116)117-89-96(54-40-28-22-16-5)108(87-98(117)55-41-29-23-17-6)97-59-73-105-107-74-78-115-118(120(107)124(112(105)88-97,82-48-36-32-26-20-14-3)83-49-37-33-27-21-15-4)109-85-94(92-50-42-38-43-51-92)60-76-113(109)126(115)103-70-68-102(69-71-103)125(100-64-56-90(7)57-65-100)101-66-62-99(63-67-101)122(9,10)11/h38-39,42-45,50-53,56-79,84-89H,12-37,40-41,46-49,54-55,80-83H2,1-11H3
InChIKeyWMDBHWQFQGWMOR-UHFFFAOYSA-N
MW1681.58 g/mol
LogP38.05
Rot. Bonds46

About 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

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 (PubChem CID 153472822) has the molecular formula C124H149N3 and a molecular weight of 1681.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID153472822
Molecular FormulaC124H149N3
Molecular Weight1681.58 g/mol
Exact Mass1680.18
IUPAC NameN-(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
SMILESCCCCCCCCC1(CCCCCCCC)c2cc(-c3cc(CCCCCC)c(-n4c5ccc(-c6ccccc6)cc5c5c6c(ccc54)-c4ccc(C)cc4C6(CCCCCCCC)CCCCCCCC)cc3CCCCCC)ccc2-c2ccc3c(c21)c1cc(-c2ccccc2)ccc1n3-c1ccc(N(c2ccc(C)cc2)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C124H149N3/c1-12-18-24-30-34-46-80-123(81-47-35-31-25-19-13-2)111-84-91(8)58-72-104(111)106-75-79-116-119(121(106)123)110-86-95(93-52-44-39-45-53-93)61-77-114(110)127(116)117-89-96(54-40-28-22-16-5)108(87-98(117)55-41-29-23-17-6)97-59-73-105-107-74-78-115-118(120(107)124(112(105)88-97,82-48-36-32-26-20-14-3)83-49-37-33-27-21-15-4)109-85-94(92-50-42-38-43-51-92)60-76-113(109)126(115)103-70-68-102(69-71-103)125(100-64-56-90(7)57-65-100)101-66-62-99(63-67-101)122(9,10)11/h38-39,42-45,50-53,56-79,84-89H,12-37,40-41,46-49,54-55,80-83H2,1-11H3
InChIKeyWMDBHWQFQGWMOR-UHFFFAOYSA-N
XLogP38.05
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds46
Heavy Atoms127
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001681.58
LogP ≤ 538.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 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 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-[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-[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-(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-[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
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
3,6-ditert-butyl-9-[4-[4-[3-[9-[9-(4-tert-butylphenyl)-6-methylcarbazol-3-yl]fluoren-9-yl]-6-[9-[9-(4-tert-butylphenyl)-6-(7-methyl-9,9-dioctylfluoren-2-yl)carbazol-3-yl]fluoren-9-yl]carbazol-9-yl]phenyl]phenyl]carbazole
CID 59404178
4-[7-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-9,9-dioctylfluoren-2-yl]-N,N-bis(4-tert-butylphenyl)aniline;9-[7-(3,6-dihexylcarbazol-9-yl)-9,9-dioctylfluoren-2-yl]-3,6-dihexylcarbazole;2-N,2-N,7-N,7-N-tetrakis(4-hexylphenyl)-9,9-dioctylfluorene-2,7-diamine
CID 159196354
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-(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-tert-butylphenyl)-N-[4-[4-[N-(4-tert-butylphenyl)-4-[5-[5-(7-methyl-9,9-dioctylfluoren-2-yl)thiophen-2-yl]thiophen-2-yl]anilino]phenyl]phenyl]-4-methylaniline
CID 59431360

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCCCCCC1(CCCCCCCC)c2cc(-c3cc(CCCCCC)c(-n4c5ccc(-c6ccccc6)cc5c5c6c(ccc54)-c4ccc(C)cc4C6(CCCCCCCC)CCCCCCCC)cc3CCCCCC)ccc2-c2ccc3c(c21)c1cc(-c2ccccc2)ccc1n3-c1ccc(N(c2ccc(C)cc2)c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is WMDBHWQFQGWMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C124H149N3/c1-12-18-24-30-34-46-80-123(81-47-35-31-25-19-13-2)111-84-91(8)58-72-104(111)106-75-79-116-119(121(106)123)110-86-95(93-52-44-39-45-53-93)61-77-114(110)127(116)117-89-96(54-40-28-22-16-5)108(87-98(117)55-41-29-23-17-6)97-59-73-105-107-74-78-115-118(120(107)124(112(105)88-97,82-48-36-32-26-20-14-3)83-49-37-33-27-21-15-4)109-85-94(92-50-42-38-43-51-92)60-76-113(109)126(115)103-70-68-102(69-71-103)125(100-64-56-90(7)57-65-100)101-66-62-99(63-67-101)122(9,10)11/h38-39,42-45,50-53,56-79,84-89H,12-37,40-41,46-49,54-55,80-83H2,1-11H3.
What are the key properties of 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?
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 has a molecular weight of 1681.58 g/mol, XLogP of 38.05, 46 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 153472822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).