9-butan-2-ylcarbazole;N-[4-(7-butan-2-yl-9,9-dioctylfluoren-2-yl)phenyl]-7-[4-(N-[4-(9,9-dioctylfluoren-2-yl)phenyl]-4-methylanilino)phenyl]-N-(4-methylphenyl)-9,9-dioctylfluoren-2-amine

C139H173N3 — CID 157068052

IUPAC9-butan-2-ylcarbazole;N-[4-(7-butan-2-yl-9,9-dioctylfluoren-2-yl)phenyl]-7-[4-(N-[4-(9,9-dioctylfluoren-2-yl)phenyl]-4-methylanilino)phenyl]-N-(4-methylphenyl)-9,9-dioctylfluoren-2-amine
SMILESCCC(C)n1c2ccccc2c2ccccc21.CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(-c5ccc6c(c5)C(CCCCCCCC)(CCCCCCCC)c5cc(N(c7ccc(C)cc7)c7ccc(-c8ccc9c(c8)C(CCCCCCCC)(CCCCCCCC)c8cc(C(C)CC)ccc8-9)cc7)ccc5-6)cc4)cc3)cc21
InChIInChI=1S/C123H156N2.C16H17N/c1-11-18-24-30-36-44-82-121(83-45-37-31-25-19-12-2)115-51-43-42-50-109(115)110-78-63-100(89-117(110)121)96-56-70-105(71-57-96)124(103-66-52-93(8)53-67-103)106-72-58-97(59-73-106)102-65-80-113-114-81-76-108(92-120(114)123(119(113)91-102,86-48-40-34-28-22-15-5)87-49-41-35-29-23-16-6)125(104-68-54-94(9)55-69-104)107-74-60-98(61-75-107)101-64-79-112-111-77-62-99(95(10)17-7)88-116(111)122(118(112)90-101,84-46-38-32-26-20-13-3)85-47-39-33-27-21-14-4;1-3-12(2)17-15-10-6-4-8-13(15)14-9-5-7-11-16(14)17/h42-43,50-81,88-92,95H,11-41,44-49,82-87H2,1-10H3;4-12H,3H2,1-2H3
InChIKeyACCKWWFSCLVWAU-UHFFFAOYSA-N
MW1885.93 g/mol
LogP43.83
Rot. Bonds55

About 9-butan-2-ylcarbazole;N-[4-(7-butan-2-yl-9,9-dioctylfluoren-2-yl)phenyl]-7-[4-(N-[4-(9,9-dioctylfluoren-2-yl)phenyl]-4-methylanilino)phenyl]-N-(4-methylphenyl)-9,9-dioctylfluoren-2-amine

9-butan-2-ylcarbazole;N-[4-(7-butan-2-yl-9,9-dioctylfluoren-2-yl)phenyl]-7-[4-(N-[4-(9,9-dioctylfluoren-2-yl)phenyl]-4-methylanilino)phenyl]-N-(4-methylphenyl)-9,9-dioctylfluoren-2-amine (PubChem CID 157068052) has the molecular formula C139H173N3 and a molecular weight of 1885.93 g/mol. Its IUPAC name is 9-butan-2-ylcarbazole;N-[4-(7-butan-2-yl-9,9-dioctylfluoren-2-yl)phenyl]-7-[4-(N-[4-(9,9-dioctylfluoren-2-yl)phenyl]-4-methylanilino)phenyl]-N-(4-methylphenyl)-9,9-dioctylfluoren-2-amine.

Molecular Properties

Compound Name9-butan-2-ylcarbazole;N-[4-(7-butan-2-yl-9,9-dioctylfluoren-2-yl)phenyl]-7-[4-(N-[4-(9,9-dioctylfluoren-2-yl)phenyl]-4-methylanilino)phenyl]-N-(4-methylphenyl)-9,9-dioctylfluoren-2-amine
PubChem CID157068052
Molecular FormulaC139H173N3
Molecular Weight1885.93 g/mol
Exact Mass1884.36
IUPAC Name9-butan-2-ylcarbazole;N-[4-(7-butan-2-yl-9,9-dioctylfluoren-2-yl)phenyl]-7-[4-(N-[4-(9,9-dioctylfluoren-2-yl)phenyl]-4-methylanilino)phenyl]-N-(4-methylphenyl)-9,9-dioctylfluoren-2-amine
SMILESCCC(C)n1c2ccccc2c2ccccc21.CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(-c5ccc6c(c5)C(CCCCCCCC)(CCCCCCCC)c5cc(N(c7ccc(C)cc7)c7ccc(-c8ccc9c(c8)C(CCCCCCCC)(CCCCCCCC)c8cc(C(C)CC)ccc8-9)cc7)ccc5-6)cc4)cc3)cc21
InChIInChI=1S/C123H156N2.C16H17N/c1-11-18-24-30-36-44-82-121(83-45-37-31-25-19-12-2)115-51-43-42-50-109(115)110-78-63-100(89-117(110)121)96-56-70-105(71-57-96)124(103-66-52-93(8)53-67-103)106-72-58-97(59-73-106)102-65-80-113-114-81-76-108(92-120(114)123(119(113)91-102,86-48-40-34-28-22-15-5)87-49-41-35-29-23-16-6)125(104-68-54-94(9)55-69-104)107-74-60-98(61-75-107)101-64-79-112-111-77-62-99(95(10)17-7)88-116(111)122(118(112)90-101,84-46-38-32-26-20-13-3)85-47-39-33-27-21-14-4;1-3-12(2)17-15-10-6-4-8-13(15)14-9-5-7-11-16(14)17/h42-43,50-81,88-92,95H,11-41,44-49,82-87H2,1-10H3;4-12H,3H2,1-2H3
InChIKeyACCKWWFSCLVWAU-UHFFFAOYSA-N
XLogP43.83
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds55
Heavy Atoms142
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001885.93
LogP ≤ 543.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 9-butan-2-ylcarbazole;N-[4-(7-butan-2-yl-9,9-dioctylfluoren-2-yl)phenyl]-7-[4-(N-[4-(9,9-dioctylfluoren-2-yl)phenyl]-4-methylanilino)phenyl]-N-(4-methylphenyl)-9,9-dioctylfluoren-2-amine with MolForge

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Related Compounds

N-[4-(7-butan-2-yl-9,9-dioctylfluoren-2-yl)phenyl]-N-(4-methylphenyl)-9,9-dioctylfluoren-2-amine;2-N-[4-(7-butan-2-yl-9,9-dioctylfluoren-2-yl)phenyl]-2-N,7-N,7-N-tris(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine
CID 158073816
7-N-[4-(7-butan-2-yl-9,9-dimethylfluoren-2-yl)phenyl]-2-N-[4-(9,9-dioctylfluoren-2-yl)phenyl]-9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)fluorene-2,7-diamine
CID 129302630
7-butan-2-yl-N-[4-(9,9-dioctyl-7-phenylfluoren-2-yl)phenyl]-9,9-dioctyl-N-phenylfluoren-2-amine
CID 126629992
2-N-[4-[9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-7-butan-2-ylfluoren-2-yl]phenyl]-7-N-[4-(9,9-dioctyl-7-phenylfluoren-2-yl)phenyl]-9,9-dioctyl-2-N,7-N-diphenylfluorene-2,7-diamine
CID 126630030
7-N-[4-[7-[9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-7-phenylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]phenyl]-2-N-[4-(7-butan-2-yl-9,9-dioctylfluoren-2-yl)phenyl]-9,9-dioctyl-2-N,7-N-diphenylfluorene-2,7-diamine
CID 126630042
N-[4-[9,9-dihexyl-7-[4-(N-(4-methylphenyl)anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-phenylaniline
CID 58251082
9,9-dibutyl-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 86165804
N-[4-[9,9-dihexyl-7-[4-(N-methyl-4-propan-2-ylanilino)phenyl]fluoren-2-yl]phenyl]-9,9-dihexyl-7-methyl-N-(4-propan-2-ylphenyl)fluoren-2-amine
CID 58251074
N-[4-[7-[4-[N-(4-butan-2-ylphenyl)-4-(9,9-dihexyl-7-phenylfluoren-2-yl)anilino]phenyl]-9,9-dihexylfluoren-2-yl]phenyl]-N-[4-(4-ethenylphenoxy)phenyl]-4-methylaniline
CID 88559551
2-(4-butan-2-ylphenyl)-9,9-dioctyl-7-(2-phenylphenyl)fluorene
CID 59816926
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
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

Frequently Asked Questions

What is the IUPAC name of 9-butan-2-ylcarbazole;N-[4-(7-butan-2-yl-9,9-dioctylfluoren-2-yl)phenyl]-7-[4-(N-[4-(9,9-dioctylfluoren-2-yl)phenyl]-4-methylanilino)phenyl]-N-(4-methylphenyl)-9,9-dioctylfluoren-2-amine?
The IUPAC name of 9-butan-2-ylcarbazole;N-[4-(7-butan-2-yl-9,9-dioctylfluoren-2-yl)phenyl]-7-[4-(N-[4-(9,9-dioctylfluoren-2-yl)phenyl]-4-methylanilino)phenyl]-N-(4-methylphenyl)-9,9-dioctylfluoren-2-amine (CID 157068052) is 9-butan-2-ylcarbazole;N-[4-(7-butan-2-yl-9,9-dioctylfluoren-2-yl)phenyl]-7-[4-(N-[4-(9,9-dioctylfluoren-2-yl)phenyl]-4-methylanilino)phenyl]-N-(4-methylphenyl)-9,9-dioctylfluoren-2-amine.
What is the SMILES notation for 9-butan-2-ylcarbazole;N-[4-(7-butan-2-yl-9,9-dioctylfluoren-2-yl)phenyl]-7-[4-(N-[4-(9,9-dioctylfluoren-2-yl)phenyl]-4-methylanilino)phenyl]-N-(4-methylphenyl)-9,9-dioctylfluoren-2-amine?
The canonical SMILES for 9-butan-2-ylcarbazole;N-[4-(7-butan-2-yl-9,9-dioctylfluoren-2-yl)phenyl]-7-[4-(N-[4-(9,9-dioctylfluoren-2-yl)phenyl]-4-methylanilino)phenyl]-N-(4-methylphenyl)-9,9-dioctylfluoren-2-amine is CCC(C)n1c2ccccc2c2ccccc21.CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(-c5ccc6c(c5)C(CCCCCCCC)(CCCCCCCC)c5cc(N(c7ccc(C)cc7)c7ccc(-c8ccc9c(c8)C(CCCCCCCC)(CCCCCCCC)c8cc(C(C)CC)ccc8-9)cc7)ccc5-6)cc4)cc3)cc21.
What is the InChIKey of 9-butan-2-ylcarbazole;N-[4-(7-butan-2-yl-9,9-dioctylfluoren-2-yl)phenyl]-7-[4-(N-[4-(9,9-dioctylfluoren-2-yl)phenyl]-4-methylanilino)phenyl]-N-(4-methylphenyl)-9,9-dioctylfluoren-2-amine?
The InChIKey is ACCKWWFSCLVWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C123H156N2.C16H17N/c1-11-18-24-30-36-44-82-121(83-45-37-31-25-19-12-2)115-51-43-42-50-109(115)110-78-63-100(89-117(110)121)96-56-70-105(71-57-96)124(103-66-52-93(8)53-67-103)106-72-58-97(59-73-106)102-65-80-113-114-81-76-108(92-120(114)123(119(113)91-102,86-48-40-34-28-22-15-5)87-49-41-35-29-23-16-6)125(104-68-54-94(9)55-69-104)107-74-60-98(61-75-107)101-64-79-112-111-77-62-99(95(10)17-7)88-116(111)122(118(112)90-101,84-46-38-32-26-20-13-3)85-47-39-33-27-21-14-4;1-3-12(2)17-15-10-6-4-8-13(15)14-9-5-7-11-16(14)17/h42-43,50-81,88-92,95H,11-41,44-49,82-87H2,1-10H3;4-12H,3H2,1-2H3.
What are the key properties of 9-butan-2-ylcarbazole;N-[4-(7-butan-2-yl-9,9-dioctylfluoren-2-yl)phenyl]-7-[4-(N-[4-(9,9-dioctylfluoren-2-yl)phenyl]-4-methylanilino)phenyl]-N-(4-methylphenyl)-9,9-dioctylfluoren-2-amine?
9-butan-2-ylcarbazole;N-[4-(7-butan-2-yl-9,9-dioctylfluoren-2-yl)phenyl]-7-[4-(N-[4-(9,9-dioctylfluoren-2-yl)phenyl]-4-methylanilino)phenyl]-N-(4-methylphenyl)-9,9-dioctylfluoren-2-amine has a molecular weight of 1885.93 g/mol, XLogP of 43.83, 55 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-butan-2-ylcarbazole;N-[4-(7-butan-2-yl-9,9-dioctylfluoren-2-yl)phenyl]-7-[4-(N-[4-(9,9-dioctylfluoren-2-yl)phenyl]-4-methylanilino)phenyl]-N-(4-methylphenyl)-9,9-dioctylfluoren-2-amine is sourced from PubChem (CID 157068052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).