N-[4-[4-[4-[9-[4-(N-(4-tert-butylphenyl)anilino)phenyl]fluoren-9-yl]-N-[4-[9-[4-[N-(4-tert-butylphenyl)-4-(9,9-dioctylfluoren-2-yl)anilino]phenyl]fluoren-9-yl]phenyl]anilino]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline

C137H130N4 — CID 59404152

IUPACN-[4-[4-[4-[9-[4-(N-(4-tert-butylphenyl)anilino)phenyl]fluoren-9-yl]-N-[4-[9-[4-[N-(4-tert-butylphenyl)-4-(9,9-dioctylfluoren-2-yl)anilino]phenyl]fluoren-9-yl]phenyl]anilino]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
SMILESCCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(-c3ccc(N(c4ccc(C(C)(C)C)cc4)c4ccc(C5(c6ccc(N(c7ccc(-c8ccc(N(c9ccc(C)cc9)c9ccc(C)cc9)cc8)cc7)c7ccc(C8(c9ccc(N(c%10ccccc%10)c%10ccc(C(C)(C)C)cc%10)cc9)c9ccccc9-c9ccccc98)cc7)cc6)c6ccccc6-c6ccccc65)cc4)cc3)cc21
InChIInChI=1S/C137H130N4/c1-11-13-15-17-19-34-94-135(95-35-20-18-16-14-12-2)127-43-29-24-38-121(127)126-93-58-102(96-132(126)135)101-56-79-114(80-57-101)140(116-83-61-104(62-84-116)134(8,9)10)118-87-65-106(66-88-118)137(130-46-32-27-41-124(130)125-42-28-33-47-131(125)137)108-69-91-120(92-70-108)141(113-77-54-100(55-78-113)99-52-75-112(76-53-99)139(110-71-48-97(3)49-72-110)111-73-50-98(4)51-74-111)119-89-67-107(68-90-119)136(128-44-30-25-39-122(128)123-40-26-31-45-129(123)136)105-63-85-117(86-64-105)138(109-36-22-21-23-37-109)115-81-59-103(60-82-115)133(5,6)7/h21-33,36-93,96H,11-20,34-35,94-95H2,1-10H3
InChIKeyBSVIPSPXNZQZCD-UHFFFAOYSA-N
MW1832.57 g/mol
LogP38.61
Rot. Bonds32

About N-[4-[4-[4-[9-[4-(N-(4-tert-butylphenyl)anilino)phenyl]fluoren-9-yl]-N-[4-[9-[4-[N-(4-tert-butylphenyl)-4-(9,9-dioctylfluoren-2-yl)anilino]phenyl]fluoren-9-yl]phenyl]anilino]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline

N-[4-[4-[4-[9-[4-(N-(4-tert-butylphenyl)anilino)phenyl]fluoren-9-yl]-N-[4-[9-[4-[N-(4-tert-butylphenyl)-4-(9,9-dioctylfluoren-2-yl)anilino]phenyl]fluoren-9-yl]phenyl]anilino]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline (PubChem CID 59404152) has the molecular formula C137H130N4 and a molecular weight of 1832.57 g/mol. Its IUPAC name is N-[4-[4-[4-[9-[4-(N-(4-tert-butylphenyl)anilino)phenyl]fluoren-9-yl]-N-[4-[9-[4-[N-(4-tert-butylphenyl)-4-(9,9-dioctylfluoren-2-yl)anilino]phenyl]fluoren-9-yl]phenyl]anilino]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline.

Molecular Properties

Compound NameN-[4-[4-[4-[9-[4-(N-(4-tert-butylphenyl)anilino)phenyl]fluoren-9-yl]-N-[4-[9-[4-[N-(4-tert-butylphenyl)-4-(9,9-dioctylfluoren-2-yl)anilino]phenyl]fluoren-9-yl]phenyl]anilino]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
PubChem CID59404152
Molecular FormulaC137H130N4
Molecular Weight1832.57 g/mol
Exact Mass1831.03
IUPAC NameN-[4-[4-[4-[9-[4-(N-(4-tert-butylphenyl)anilino)phenyl]fluoren-9-yl]-N-[4-[9-[4-[N-(4-tert-butylphenyl)-4-(9,9-dioctylfluoren-2-yl)anilino]phenyl]fluoren-9-yl]phenyl]anilino]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
SMILESCCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(-c3ccc(N(c4ccc(C(C)(C)C)cc4)c4ccc(C5(c6ccc(N(c7ccc(-c8ccc(N(c9ccc(C)cc9)c9ccc(C)cc9)cc8)cc7)c7ccc(C8(c9ccc(N(c%10ccccc%10)c%10ccc(C(C)(C)C)cc%10)cc9)c9ccccc9-c9ccccc98)cc7)cc6)c6ccccc6-c6ccccc65)cc4)cc3)cc21
InChIInChI=1S/C137H130N4/c1-11-13-15-17-19-34-94-135(95-35-20-18-16-14-12-2)127-43-29-24-38-121(127)126-93-58-102(96-132(126)135)101-56-79-114(80-57-101)140(116-83-61-104(62-84-116)134(8,9)10)118-87-65-106(66-88-118)137(130-46-32-27-41-124(130)125-42-28-33-47-131(125)137)108-69-91-120(92-70-108)141(113-77-54-100(55-78-113)99-52-75-112(76-53-99)139(110-71-48-97(3)49-72-110)111-73-50-98(4)51-74-111)119-89-67-107(68-90-119)136(128-44-30-25-39-122(128)123-40-26-31-45-129(123)136)105-63-85-117(86-64-105)138(109-36-22-21-23-37-109)115-81-59-103(60-82-115)133(5,6)7/h21-33,36-93,96H,11-20,34-35,94-95H2,1-10H3
InChIKeyBSVIPSPXNZQZCD-UHFFFAOYSA-N
XLogP38.61
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds32
Heavy Atoms141
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001832.57
LogP ≤ 538.61
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-[9-[4-(N-(4-tert-butylphenyl)anilino)phenyl]fluoren-9-yl]-N-[4-[9-[4-[N-(4-tert-butylphenyl)-4-(9,9-dioctylfluoren-2-yl)anilino]phenyl]fluoren-9-yl]phenyl]anilino]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline with MolForge

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Related Compounds

4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-N-[4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]phenyl]-N-[4-[2,7-dimethyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]aniline;2,7-dimethyl-9,9-dioctylfluorene
CID 157085258
N-[4-[9,9-dihexyl-7-[4-(N-(4-methylphenyl)anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-phenylaniline
CID 58251082
3-methyl-N-[4-[4-(4-methyl-N-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 23530066
3,7-bis[9,9-bis(4-methylphenyl)fluoren-2-yl]-10-[4-[2,7-dimethyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]phenoxazine;4-[9,9-bis(4-methylphenyl)fluoren-2-yl]-N-[4-[9,9-bis(4-methylphenyl)fluoren-2-yl]phenyl]-N-[4-[2,7-dimethyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]aniline;2,7-dimethyl-9,9-dioctylfluorene
CID 160646857
4-(4-tert-butylphenyl)-N-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]-N-[4-[7,9,9-tris(4-hexylphenyl)fluoren-2-yl]phenyl]aniline
CID 58556150
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
2-(9,9-dihexylfluoren-2-yl)-7-(9,9-dihexyl-7-methylfluoren-2-yl)-9,9-dihexylfluorene
CID 59512955
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
9,9-dioctyl-2-(4-phenylphenyl)fluorene
CID 101073015
3-[4-[7-[4-[N-(3-carboxyphenyl)-4-[N-(3-carboxyphenyl)-4-(9,9-dioctylfluoren-2-yl)anilino]anilino]phenyl]-9,9-dioctylfluoren-2-yl]-N-[4-[N-(3-carboxyphenyl)-4-(9,9-dioctylfluoren-2-yl)anilino]phenyl]anilino]benzoic acid
CID 101050467
N-[9,9-bis(4-tert-butylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[9,9-bis(4-methylphenyl)fluoren-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-[9,9-bis(4-methylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[9,9-bis(4-phenylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 158846091
7-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-9,9-dihexyl-N,N-diphenylfluoren-2-amine
CID 102597851

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[4-[9-[4-(N-(4-tert-butylphenyl)anilino)phenyl]fluoren-9-yl]-N-[4-[9-[4-[N-(4-tert-butylphenyl)-4-(9,9-dioctylfluoren-2-yl)anilino]phenyl]fluoren-9-yl]phenyl]anilino]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
The IUPAC name of N-[4-[4-[4-[9-[4-(N-(4-tert-butylphenyl)anilino)phenyl]fluoren-9-yl]-N-[4-[9-[4-[N-(4-tert-butylphenyl)-4-(9,9-dioctylfluoren-2-yl)anilino]phenyl]fluoren-9-yl]phenyl]anilino]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline (CID 59404152) is N-[4-[4-[4-[9-[4-(N-(4-tert-butylphenyl)anilino)phenyl]fluoren-9-yl]-N-[4-[9-[4-[N-(4-tert-butylphenyl)-4-(9,9-dioctylfluoren-2-yl)anilino]phenyl]fluoren-9-yl]phenyl]anilino]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline.
What is the SMILES notation for N-[4-[4-[4-[9-[4-(N-(4-tert-butylphenyl)anilino)phenyl]fluoren-9-yl]-N-[4-[9-[4-[N-(4-tert-butylphenyl)-4-(9,9-dioctylfluoren-2-yl)anilino]phenyl]fluoren-9-yl]phenyl]anilino]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
The canonical SMILES for N-[4-[4-[4-[9-[4-(N-(4-tert-butylphenyl)anilino)phenyl]fluoren-9-yl]-N-[4-[9-[4-[N-(4-tert-butylphenyl)-4-(9,9-dioctylfluoren-2-yl)anilino]phenyl]fluoren-9-yl]phenyl]anilino]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline is CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(-c3ccc(N(c4ccc(C(C)(C)C)cc4)c4ccc(C5(c6ccc(N(c7ccc(-c8ccc(N(c9ccc(C)cc9)c9ccc(C)cc9)cc8)cc7)c7ccc(C8(c9ccc(N(c%10ccccc%10)c%10ccc(C(C)(C)C)cc%10)cc9)c9ccccc9-c9ccccc98)cc7)cc6)c6ccccc6-c6ccccc65)cc4)cc3)cc21.
What is the InChIKey of N-[4-[4-[4-[9-[4-(N-(4-tert-butylphenyl)anilino)phenyl]fluoren-9-yl]-N-[4-[9-[4-[N-(4-tert-butylphenyl)-4-(9,9-dioctylfluoren-2-yl)anilino]phenyl]fluoren-9-yl]phenyl]anilino]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
The InChIKey is BSVIPSPXNZQZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C137H130N4/c1-11-13-15-17-19-34-94-135(95-35-20-18-16-14-12-2)127-43-29-24-38-121(127)126-93-58-102(96-132(126)135)101-56-79-114(80-57-101)140(116-83-61-104(62-84-116)134(8,9)10)118-87-65-106(66-88-118)137(130-46-32-27-41-124(130)125-42-28-33-47-131(125)137)108-69-91-120(92-70-108)141(113-77-54-100(55-78-113)99-52-75-112(76-53-99)139(110-71-48-97(3)49-72-110)111-73-50-98(4)51-74-111)119-89-67-107(68-90-119)136(128-44-30-25-39-122(128)123-40-26-31-45-129(123)136)105-63-85-117(86-64-105)138(109-36-22-21-23-37-109)115-81-59-103(60-82-115)133(5,6)7/h21-33,36-93,96H,11-20,34-35,94-95H2,1-10H3.
What are the key properties of N-[4-[4-[4-[9-[4-(N-(4-tert-butylphenyl)anilino)phenyl]fluoren-9-yl]-N-[4-[9-[4-[N-(4-tert-butylphenyl)-4-(9,9-dioctylfluoren-2-yl)anilino]phenyl]fluoren-9-yl]phenyl]anilino]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
N-[4-[4-[4-[9-[4-(N-(4-tert-butylphenyl)anilino)phenyl]fluoren-9-yl]-N-[4-[9-[4-[N-(4-tert-butylphenyl)-4-(9,9-dioctylfluoren-2-yl)anilino]phenyl]fluoren-9-yl]phenyl]anilino]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline has a molecular weight of 1832.57 g/mol, XLogP of 38.61, 32 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[4-[9-[4-(N-(4-tert-butylphenyl)anilino)phenyl]fluoren-9-yl]-N-[4-[9-[4-[N-(4-tert-butylphenyl)-4-(9,9-dioctylfluoren-2-yl)anilino]phenyl]fluoren-9-yl]phenyl]anilino]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline is sourced from PubChem (CID 59404152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).