4-[4-[4-[9-(4-octylphenyl)fluoren-9-yl]-N-[4-[9-(4-octylphenyl)fluoren-9-yl]phenyl]anilino]phenyl]-N,N-bis[4-[9-(4-octylphenyl)fluoren-9-yl]phenyl]aniline

C144H140N2 — CID 141098766

IUPAC4-[4-[4-[9-(4-octylphenyl)fluoren-9-yl]-N-[4-[9-(4-octylphenyl)fluoren-9-yl]phenyl]anilino]phenyl]-N,N-bis[4-[9-(4-octylphenyl)fluoren-9-yl]phenyl]aniline
SMILESCCCCCCCCc1ccc(C2(c3ccc(N(c4ccc(-c5ccc(N(c6ccc(C7(c8ccc(CCCCCCCC)cc8)c8ccccc8-c8ccccc87)cc6)c6ccc(C7(c8ccc(CCCCCCCC)cc8)c8ccccc8-c8ccccc87)cc6)cc5)cc4)c4ccc(C5(c6ccc(CCCCCCCC)cc6)c6ccccc6-c6ccccc65)cc4)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C144H140N2/c1-5-9-13-17-21-25-45-105-65-77-111(78-66-105)141(133-57-37-29-49-125(133)126-50-30-38-58-134(126)141)115-85-97-121(98-86-115)145(122-99-87-116(88-100-122)142(112-79-67-106(68-80-112)46-26-22-18-14-10-6-2)135-59-39-31-51-127(135)128-52-32-40-60-136(128)142)119-93-73-109(74-94-119)110-75-95-120(96-76-110)146(123-101-89-117(90-102-123)143(113-81-69-107(70-82-113)47-27-23-19-15-11-7-3)137-61-41-33-53-129(137)130-54-34-42-62-138(130)143)124-103-91-118(92-104-124)144(114-83-71-108(72-84-114)48-28-24-20-16-12-8-4)139-63-43-35-55-131(139)132-56-36-44-64-140(132)144/h29-44,49-104H,5-28,45-48H2,1-4H3
InChIKeyQZJFZGOREKVTSU-UHFFFAOYSA-N
MW1898.72 g/mol
LogP39.36
Rot. Bonds43

About 4-[4-[4-[9-(4-octylphenyl)fluoren-9-yl]-N-[4-[9-(4-octylphenyl)fluoren-9-yl]phenyl]anilino]phenyl]-N,N-bis[4-[9-(4-octylphenyl)fluoren-9-yl]phenyl]aniline

4-[4-[4-[9-(4-octylphenyl)fluoren-9-yl]-N-[4-[9-(4-octylphenyl)fluoren-9-yl]phenyl]anilino]phenyl]-N,N-bis[4-[9-(4-octylphenyl)fluoren-9-yl]phenyl]aniline (PubChem CID 141098766) has the molecular formula C144H140N2 and a molecular weight of 1898.72 g/mol. Its IUPAC name is 4-[4-[4-[9-(4-octylphenyl)fluoren-9-yl]-N-[4-[9-(4-octylphenyl)fluoren-9-yl]phenyl]anilino]phenyl]-N,N-bis[4-[9-(4-octylphenyl)fluoren-9-yl]phenyl]aniline.

Molecular Properties

Compound Name4-[4-[4-[9-(4-octylphenyl)fluoren-9-yl]-N-[4-[9-(4-octylphenyl)fluoren-9-yl]phenyl]anilino]phenyl]-N,N-bis[4-[9-(4-octylphenyl)fluoren-9-yl]phenyl]aniline
PubChem CID141098766
Molecular FormulaC144H140N2
Molecular Weight1898.72 g/mol
Exact Mass1897.10
IUPAC Name4-[4-[4-[9-(4-octylphenyl)fluoren-9-yl]-N-[4-[9-(4-octylphenyl)fluoren-9-yl]phenyl]anilino]phenyl]-N,N-bis[4-[9-(4-octylphenyl)fluoren-9-yl]phenyl]aniline
SMILESCCCCCCCCc1ccc(C2(c3ccc(N(c4ccc(-c5ccc(N(c6ccc(C7(c8ccc(CCCCCCCC)cc8)c8ccccc8-c8ccccc87)cc6)c6ccc(C7(c8ccc(CCCCCCCC)cc8)c8ccccc8-c8ccccc87)cc6)cc5)cc4)c4ccc(C5(c6ccc(CCCCCCCC)cc6)c6ccccc6-c6ccccc65)cc4)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C144H140N2/c1-5-9-13-17-21-25-45-105-65-77-111(78-66-105)141(133-57-37-29-49-125(133)126-50-30-38-58-134(126)141)115-85-97-121(98-86-115)145(122-99-87-116(88-100-122)142(112-79-67-106(68-80-112)46-26-22-18-14-10-6-2)135-59-39-31-51-127(135)128-52-32-40-60-136(128)142)119-93-73-109(74-94-119)110-75-95-120(96-76-110)146(123-101-89-117(90-102-123)143(113-81-69-107(70-82-113)47-27-23-19-15-11-7-3)137-61-41-33-53-129(137)130-54-34-42-62-138(130)143)124-103-91-118(92-104-124)144(114-83-71-108(72-84-114)48-28-24-20-16-12-8-4)139-63-43-35-55-131(139)132-56-36-44-64-140(132)144/h29-44,49-104H,5-28,45-48H2,1-4H3
InChIKeyQZJFZGOREKVTSU-UHFFFAOYSA-N
XLogP39.36
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds43
Heavy Atoms146
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001898.72
LogP ≤ 539.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[4-[4-[9-(4-octylphenyl)fluoren-9-yl]-N-[4-[9-(4-octylphenyl)fluoren-9-yl]phenyl]anilino]phenyl]-N,N-bis[4-[9-(4-octylphenyl)fluoren-9-yl]phenyl]aniline with MolForge

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Related Compounds

N,N-bis(4-octylphenyl)-9,9-diphenylfluoren-2-amine
CID 139762426
N-(4-hexylphenyl)-9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-2-yl]-9-phenylfluoren-2-amine
CID 177067093
5,5,10,10-tetrakis(4-octylphenyl)indeno[2,1-a]indene
CID 102346967
9-[4-(4-butan-2-ylphenoxy)phenyl]-9-(4-hexylphenyl)-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 155606387
N-[4-(14-phenyl-14-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaenyl)phenyl]-N-[4-(4-propylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 146414854
CID 58556141
CID 58556141
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
9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-2-yl]-9-phenyl-N-(4-propylphenyl)fluoren-2-amine
CID 177067313
N,N-diphenyl-4-tetradecylaniline
CID 170668082
4-octadecyl-N,N-diphenylaniline
CID 162035815
4-hexyl-N,N-diphenylaniline
CID 20525221
propane;spiro[fluorene-9,6'-tricyclo[5.2.2.22,5]trideca-1(10),2(13),3,5(12),7(11),8-hexaene]
CID 144938761

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[9-(4-octylphenyl)fluoren-9-yl]-N-[4-[9-(4-octylphenyl)fluoren-9-yl]phenyl]anilino]phenyl]-N,N-bis[4-[9-(4-octylphenyl)fluoren-9-yl]phenyl]aniline?
The IUPAC name of 4-[4-[4-[9-(4-octylphenyl)fluoren-9-yl]-N-[4-[9-(4-octylphenyl)fluoren-9-yl]phenyl]anilino]phenyl]-N,N-bis[4-[9-(4-octylphenyl)fluoren-9-yl]phenyl]aniline (CID 141098766) is 4-[4-[4-[9-(4-octylphenyl)fluoren-9-yl]-N-[4-[9-(4-octylphenyl)fluoren-9-yl]phenyl]anilino]phenyl]-N,N-bis[4-[9-(4-octylphenyl)fluoren-9-yl]phenyl]aniline.
What is the SMILES notation for 4-[4-[4-[9-(4-octylphenyl)fluoren-9-yl]-N-[4-[9-(4-octylphenyl)fluoren-9-yl]phenyl]anilino]phenyl]-N,N-bis[4-[9-(4-octylphenyl)fluoren-9-yl]phenyl]aniline?
The canonical SMILES for 4-[4-[4-[9-(4-octylphenyl)fluoren-9-yl]-N-[4-[9-(4-octylphenyl)fluoren-9-yl]phenyl]anilino]phenyl]-N,N-bis[4-[9-(4-octylphenyl)fluoren-9-yl]phenyl]aniline is CCCCCCCCc1ccc(C2(c3ccc(N(c4ccc(-c5ccc(N(c6ccc(C7(c8ccc(CCCCCCCC)cc8)c8ccccc8-c8ccccc87)cc6)c6ccc(C7(c8ccc(CCCCCCCC)cc8)c8ccccc8-c8ccccc87)cc6)cc5)cc4)c4ccc(C5(c6ccc(CCCCCCCC)cc6)c6ccccc6-c6ccccc65)cc4)cc3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 4-[4-[4-[9-(4-octylphenyl)fluoren-9-yl]-N-[4-[9-(4-octylphenyl)fluoren-9-yl]phenyl]anilino]phenyl]-N,N-bis[4-[9-(4-octylphenyl)fluoren-9-yl]phenyl]aniline?
The InChIKey is QZJFZGOREKVTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C144H140N2/c1-5-9-13-17-21-25-45-105-65-77-111(78-66-105)141(133-57-37-29-49-125(133)126-50-30-38-58-134(126)141)115-85-97-121(98-86-115)145(122-99-87-116(88-100-122)142(112-79-67-106(68-80-112)46-26-22-18-14-10-6-2)135-59-39-31-51-127(135)128-52-32-40-60-136(128)142)119-93-73-109(74-94-119)110-75-95-120(96-76-110)146(123-101-89-117(90-102-123)143(113-81-69-107(70-82-113)47-27-23-19-15-11-7-3)137-61-41-33-53-129(137)130-54-34-42-62-138(130)143)124-103-91-118(92-104-124)144(114-83-71-108(72-84-114)48-28-24-20-16-12-8-4)139-63-43-35-55-131(139)132-56-36-44-64-140(132)144/h29-44,49-104H,5-28,45-48H2,1-4H3.
What are the key properties of 4-[4-[4-[9-(4-octylphenyl)fluoren-9-yl]-N-[4-[9-(4-octylphenyl)fluoren-9-yl]phenyl]anilino]phenyl]-N,N-bis[4-[9-(4-octylphenyl)fluoren-9-yl]phenyl]aniline?
4-[4-[4-[9-(4-octylphenyl)fluoren-9-yl]-N-[4-[9-(4-octylphenyl)fluoren-9-yl]phenyl]anilino]phenyl]-N,N-bis[4-[9-(4-octylphenyl)fluoren-9-yl]phenyl]aniline has a molecular weight of 1898.72 g/mol, XLogP of 39.36, 43 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-[9-(4-octylphenyl)fluoren-9-yl]-N-[4-[9-(4-octylphenyl)fluoren-9-yl]phenyl]anilino]phenyl]-N,N-bis[4-[9-(4-octylphenyl)fluoren-9-yl]phenyl]aniline is sourced from PubChem (CID 141098766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).