9-[4-[9,9-bis(4-hexylphenyl)-7-[4-[10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]fluoren-2-yl]naphthalen-1-yl]-10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracene

C125H94 — CID 163597149

IUPAC9-[4-[9,9-bis(4-hexylphenyl)-7-[4-[10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]fluoren-2-yl]naphthalen-1-yl]-10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracene
SMILESCCCCCCc1ccc(C2(c3ccc(CCCCCC)cc3)c3cc(-c4ccc(-c5c6ccccc6c(-c6ccc(-c7cccc8ccccc78)c7ccccc67)c6ccccc56)c5ccccc45)ccc3-c3ccc(-c4ccc(-c5c6ccccc6c(-c6ccc(-c7cccc8ccccc78)c7ccccc67)c6ccccc56)c5ccccc45)cc32)cc1
InChIInChI=1S/C125H94/c1-3-5-7-9-33-81-59-65-87(66-60-81)125(88-67-61-82(62-68-88)34-10-8-6-4-2)119-79-85(91-71-75-115(99-45-19-15-41-93(91)99)121-107-49-23-27-53-111(107)123(112-54-28-24-50-108(112)121)117-77-73-103(97-43-17-21-47-101(97)117)95-57-31-37-83-35-11-13-39-89(83)95)63-69-105(119)106-70-64-86(80-120(106)125)92-72-76-116(100-46-20-16-42-94(92)100)122-109-51-25-29-55-113(109)124(114-56-30-26-52-110(114)122)118-78-74-104(98-44-18-22-48-102(98)118)96-58-32-38-84-36-12-14-40-90(84)96/h11-32,35-80H,3-10,33-34H2,1-2H3
InChIKeyGUKLKXUQDDUUKO-UHFFFAOYSA-N
MW1596.13 g/mol
LogP35.16
Rot. Bonds20

About 9-[4-[9,9-bis(4-hexylphenyl)-7-[4-[10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]fluoren-2-yl]naphthalen-1-yl]-10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracene

9-[4-[9,9-bis(4-hexylphenyl)-7-[4-[10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]fluoren-2-yl]naphthalen-1-yl]-10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracene (PubChem CID 163597149) has the molecular formula C125H94 and a molecular weight of 1596.13 g/mol. Its IUPAC name is 9-[4-[9,9-bis(4-hexylphenyl)-7-[4-[10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]fluoren-2-yl]naphthalen-1-yl]-10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracene.

Molecular Properties

Compound Name9-[4-[9,9-bis(4-hexylphenyl)-7-[4-[10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]fluoren-2-yl]naphthalen-1-yl]-10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracene
PubChem CID163597149
Molecular FormulaC125H94
Molecular Weight1596.13 g/mol
Exact Mass1594.74
IUPAC Name9-[4-[9,9-bis(4-hexylphenyl)-7-[4-[10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]fluoren-2-yl]naphthalen-1-yl]-10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracene
SMILESCCCCCCc1ccc(C2(c3ccc(CCCCCC)cc3)c3cc(-c4ccc(-c5c6ccccc6c(-c6ccc(-c7cccc8ccccc78)c7ccccc67)c6ccccc56)c5ccccc45)ccc3-c3ccc(-c4ccc(-c5c6ccccc6c(-c6ccc(-c7cccc8ccccc78)c7ccccc67)c6ccccc56)c5ccccc45)cc32)cc1
InChIInChI=1S/C125H94/c1-3-5-7-9-33-81-59-65-87(66-60-81)125(88-67-61-82(62-68-88)34-10-8-6-4-2)119-79-85(91-71-75-115(99-45-19-15-41-93(91)99)121-107-49-23-27-53-111(107)123(112-54-28-24-50-108(112)121)117-77-73-103(97-43-17-21-47-101(97)117)95-57-31-37-83-35-11-13-39-89(83)95)63-69-105(119)106-70-64-86(80-120(106)125)92-72-76-116(100-46-20-16-42-94(92)100)122-109-51-25-29-55-113(109)124(114-56-30-26-52-110(114)122)118-78-74-104(98-44-18-22-48-102(98)118)96-58-32-38-84-36-12-14-40-90(84)96/h11-32,35-80H,3-10,33-34H2,1-2H3
InChIKeyGUKLKXUQDDUUKO-UHFFFAOYSA-N
XLogP35.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds20
Heavy Atoms125
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001596.13
LogP ≤ 535.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 9-[4-[9,9-bis(4-hexylphenyl)-7-[4-[10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]fluoren-2-yl]naphthalen-1-yl]-10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracene with MolForge

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Related Compounds

3-[9,9-bis(4-hexylphenyl)-7-perylen-3-ylfluoren-2-yl]perylene
CID 123955515
7,7-bis(4-hexylphenyl)-5,9-dimethylbenzo[c]fluorene
CID 140661825
CID 58556141
CID 58556141
1-N-(4-butylphenyl)-4-N-[4-[9-[4-(4-butylphenyl)phenyl]-2,7-dimethylfluoren-9-yl]phenyl]-1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine
CID 59480577
2-naphthalen-1-yl-9,9-diphenylfluorene;hydroiodide
CID 144939232
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
N-(4-hexylphenyl)-9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-2-yl]-9-phenylfluoren-2-amine
CID 177067093
9-[3-[9-[3,5-bis(10-naphthalen-1-ylanthracen-9-yl)phenyl]fluoren-9-yl]-5-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-10-naphthalen-1-ylanthracene;9-[3-[9-[3,5-bis[10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]fluoren-9-yl]-5-[10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]-10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracene
CID 159691196
6-methyl-2-naphthalen-1-yl-9,9-diphenylfluorene
CID 156896834
2-[9,9-bis(4-hexylphenyl)-7-methylfluoren-2-yl]-9,9-bis(3-hexylphenyl)-7-(7-methyl-9,9-dioctylfluoren-2-yl)fluorene
CID 140591814
2-[3-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluorene
CID 154591181
11,11-bis(4-hexylphenyl)-3,9-dimethylbenzo[a]fluorene
CID 140661819

Frequently Asked Questions

What is the IUPAC name of 9-[4-[9,9-bis(4-hexylphenyl)-7-[4-[10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]fluoren-2-yl]naphthalen-1-yl]-10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracene?
The IUPAC name of 9-[4-[9,9-bis(4-hexylphenyl)-7-[4-[10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]fluoren-2-yl]naphthalen-1-yl]-10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracene (CID 163597149) is 9-[4-[9,9-bis(4-hexylphenyl)-7-[4-[10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]fluoren-2-yl]naphthalen-1-yl]-10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracene.
What is the SMILES notation for 9-[4-[9,9-bis(4-hexylphenyl)-7-[4-[10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]fluoren-2-yl]naphthalen-1-yl]-10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracene?
The canonical SMILES for 9-[4-[9,9-bis(4-hexylphenyl)-7-[4-[10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]fluoren-2-yl]naphthalen-1-yl]-10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracene is CCCCCCc1ccc(C2(c3ccc(CCCCCC)cc3)c3cc(-c4ccc(-c5c6ccccc6c(-c6ccc(-c7cccc8ccccc78)c7ccccc67)c6ccccc56)c5ccccc45)ccc3-c3ccc(-c4ccc(-c5c6ccccc6c(-c6ccc(-c7cccc8ccccc78)c7ccccc67)c6ccccc56)c5ccccc45)cc32)cc1.
What is the InChIKey of 9-[4-[9,9-bis(4-hexylphenyl)-7-[4-[10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]fluoren-2-yl]naphthalen-1-yl]-10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracene?
The InChIKey is GUKLKXUQDDUUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C125H94/c1-3-5-7-9-33-81-59-65-87(66-60-81)125(88-67-61-82(62-68-88)34-10-8-6-4-2)119-79-85(91-71-75-115(99-45-19-15-41-93(91)99)121-107-49-23-27-53-111(107)123(112-54-28-24-50-108(112)121)117-77-73-103(97-43-17-21-47-101(97)117)95-57-31-37-83-35-11-13-39-89(83)95)63-69-105(119)106-70-64-86(80-120(106)125)92-72-76-116(100-46-20-16-42-94(92)100)122-109-51-25-29-55-113(109)124(114-56-30-26-52-110(114)122)118-78-74-104(98-44-18-22-48-102(98)118)96-58-32-38-84-36-12-14-40-90(84)96/h11-32,35-80H,3-10,33-34H2,1-2H3.
What are the key properties of 9-[4-[9,9-bis(4-hexylphenyl)-7-[4-[10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]fluoren-2-yl]naphthalen-1-yl]-10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracene?
9-[4-[9,9-bis(4-hexylphenyl)-7-[4-[10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]fluoren-2-yl]naphthalen-1-yl]-10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracene has a molecular weight of 1596.13 g/mol, XLogP of 35.16, 20 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[9,9-bis(4-hexylphenyl)-7-[4-[10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]fluoren-2-yl]naphthalen-1-yl]-10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracene is sourced from PubChem (CID 163597149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).