9-[3,5-bis(4-tert-butylphenyl)phenyl]-10-[4-[4-[9-[4-[4-[10-[3,5-bis(4-tert-butylphenyl)phenyl]anthracen-9-yl]phenyl]phenyl]fluoren-9-yl]phenyl]phenyl]anthracene

C117H98 — CID 22895266

IUPAC9-[3,5-bis(4-tert-butylphenyl)phenyl]-10-[4-[4-[9-[4-[4-[10-[3,5-bis(4-tert-butylphenyl)phenyl]anthracen-9-yl]phenyl]phenyl]fluoren-9-yl]phenyl]phenyl]anthracene
SMILESCC(C)(C)c1ccc(-c2cc(-c3ccc(C(C)(C)C)cc3)cc(-c3c4ccccc4c(-c4ccc(-c5ccc(C6(c7ccc(-c8ccc(-c9c%10ccccc%10c(-c%10cc(-c%11ccc(C(C)(C)C)cc%11)cc(-c%11ccc(C(C)(C)C)cc%11)c%10)c%10ccccc9%10)cc8)cc7)c7ccccc7-c7ccccc76)cc5)cc4)c4ccccc34)c2)cc1
InChIInChI=1S/C117H98/c1-113(2,3)91-57-45-79(46-58-91)85-69-86(80-47-59-92(60-48-80)114(4,5)6)72-89(71-85)111-103-31-17-13-27-99(103)109(100-28-14-18-32-104(100)111)83-41-37-75(38-42-83)77-53-65-95(66-54-77)117(107-35-23-21-25-97(107)98-26-22-24-36-108(98)117)96-67-55-78(56-68-96)76-39-43-84(44-40-76)110-101-29-15-19-33-105(101)112(106-34-20-16-30-102(106)110)90-73-87(81-49-61-93(62-50-81)115(7,8)9)70-88(74-90)82-51-63-94(64-52-82)116(10,11)12/h13-74H,1-12H3
InChIKeyYHAKFUDUUBEOMW-UHFFFAOYSA-N
MW1504.07 g/mol
LogP32.52
Rot. Bonds12

About 9-[3,5-bis(4-tert-butylphenyl)phenyl]-10-[4-[4-[9-[4-[4-[10-[3,5-bis(4-tert-butylphenyl)phenyl]anthracen-9-yl]phenyl]phenyl]fluoren-9-yl]phenyl]phenyl]anthracene

9-[3,5-bis(4-tert-butylphenyl)phenyl]-10-[4-[4-[9-[4-[4-[10-[3,5-bis(4-tert-butylphenyl)phenyl]anthracen-9-yl]phenyl]phenyl]fluoren-9-yl]phenyl]phenyl]anthracene (PubChem CID 22895266) has the molecular formula C117H98 and a molecular weight of 1504.07 g/mol. Its IUPAC name is 9-[3,5-bis(4-tert-butylphenyl)phenyl]-10-[4-[4-[9-[4-[4-[10-[3,5-bis(4-tert-butylphenyl)phenyl]anthracen-9-yl]phenyl]phenyl]fluoren-9-yl]phenyl]phenyl]anthracene.

Molecular Properties

Compound Name9-[3,5-bis(4-tert-butylphenyl)phenyl]-10-[4-[4-[9-[4-[4-[10-[3,5-bis(4-tert-butylphenyl)phenyl]anthracen-9-yl]phenyl]phenyl]fluoren-9-yl]phenyl]phenyl]anthracene
PubChem CID22895266
Molecular FormulaC117H98
Molecular Weight1504.07 g/mol
Exact Mass1502.77
IUPAC Name9-[3,5-bis(4-tert-butylphenyl)phenyl]-10-[4-[4-[9-[4-[4-[10-[3,5-bis(4-tert-butylphenyl)phenyl]anthracen-9-yl]phenyl]phenyl]fluoren-9-yl]phenyl]phenyl]anthracene
SMILESCC(C)(C)c1ccc(-c2cc(-c3ccc(C(C)(C)C)cc3)cc(-c3c4ccccc4c(-c4ccc(-c5ccc(C6(c7ccc(-c8ccc(-c9c%10ccccc%10c(-c%10cc(-c%11ccc(C(C)(C)C)cc%11)cc(-c%11ccc(C(C)(C)C)cc%11)c%10)c%10ccccc9%10)cc8)cc7)c7ccccc7-c7ccccc76)cc5)cc4)c4ccccc34)c2)cc1
InChIInChI=1S/C117H98/c1-113(2,3)91-57-45-79(46-58-91)85-69-86(80-47-59-92(60-48-80)114(4,5)6)72-89(71-85)111-103-31-17-13-27-99(103)109(100-28-14-18-32-104(100)111)83-41-37-75(38-42-83)77-53-65-95(66-54-77)117(107-35-23-21-25-97(107)98-26-22-24-36-108(98)117)96-67-55-78(56-68-96)76-39-43-84(44-40-76)110-101-29-15-19-33-105(101)112(106-34-20-16-30-102(106)110)90-73-87(81-49-61-93(62-50-81)115(7,8)9)70-88(74-90)82-51-63-94(64-52-82)116(10,11)12/h13-74H,1-12H3
InChIKeyYHAKFUDUUBEOMW-UHFFFAOYSA-N
XLogP32.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms117
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001504.07
LogP ≤ 532.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 9-[3,5-bis(4-tert-butylphenyl)phenyl]-10-[4-[4-[9-[4-[4-[10-[3,5-bis(4-tert-butylphenyl)phenyl]anthracen-9-yl]phenyl]phenyl]fluoren-9-yl]phenyl]phenyl]anthracene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-[3,5-bis(4-tert-butylphenyl)phenyl]-10-[4-[4-[9-[4-[4-[10-[3,5-bis(4-tert-butylphenyl)phenyl]anthracen-9-yl]phenyl]phenyl]fluoren-9-yl]phenyl]phenyl]anthracene?
The IUPAC name of 9-[3,5-bis(4-tert-butylphenyl)phenyl]-10-[4-[4-[9-[4-[4-[10-[3,5-bis(4-tert-butylphenyl)phenyl]anthracen-9-yl]phenyl]phenyl]fluoren-9-yl]phenyl]phenyl]anthracene (CID 22895266) is 9-[3,5-bis(4-tert-butylphenyl)phenyl]-10-[4-[4-[9-[4-[4-[10-[3,5-bis(4-tert-butylphenyl)phenyl]anthracen-9-yl]phenyl]phenyl]fluoren-9-yl]phenyl]phenyl]anthracene.
What is the SMILES notation for 9-[3,5-bis(4-tert-butylphenyl)phenyl]-10-[4-[4-[9-[4-[4-[10-[3,5-bis(4-tert-butylphenyl)phenyl]anthracen-9-yl]phenyl]phenyl]fluoren-9-yl]phenyl]phenyl]anthracene?
The canonical SMILES for 9-[3,5-bis(4-tert-butylphenyl)phenyl]-10-[4-[4-[9-[4-[4-[10-[3,5-bis(4-tert-butylphenyl)phenyl]anthracen-9-yl]phenyl]phenyl]fluoren-9-yl]phenyl]phenyl]anthracene is CC(C)(C)c1ccc(-c2cc(-c3ccc(C(C)(C)C)cc3)cc(-c3c4ccccc4c(-c4ccc(-c5ccc(C6(c7ccc(-c8ccc(-c9c%10ccccc%10c(-c%10cc(-c%11ccc(C(C)(C)C)cc%11)cc(-c%11ccc(C(C)(C)C)cc%11)c%10)c%10ccccc9%10)cc8)cc7)c7ccccc7-c7ccccc76)cc5)cc4)c4ccccc34)c2)cc1.
What is the InChIKey of 9-[3,5-bis(4-tert-butylphenyl)phenyl]-10-[4-[4-[9-[4-[4-[10-[3,5-bis(4-tert-butylphenyl)phenyl]anthracen-9-yl]phenyl]phenyl]fluoren-9-yl]phenyl]phenyl]anthracene?
The InChIKey is YHAKFUDUUBEOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C117H98/c1-113(2,3)91-57-45-79(46-58-91)85-69-86(80-47-59-92(60-48-80)114(4,5)6)72-89(71-85)111-103-31-17-13-27-99(103)109(100-28-14-18-32-104(100)111)83-41-37-75(38-42-83)77-53-65-95(66-54-77)117(107-35-23-21-25-97(107)98-26-22-24-36-108(98)117)96-67-55-78(56-68-96)76-39-43-84(44-40-76)110-101-29-15-19-33-105(101)112(106-34-20-16-30-102(106)110)90-73-87(81-49-61-93(62-50-81)115(7,8)9)70-88(74-90)82-51-63-94(64-52-82)116(10,11)12/h13-74H,1-12H3.
What are the key properties of 9-[3,5-bis(4-tert-butylphenyl)phenyl]-10-[4-[4-[9-[4-[4-[10-[3,5-bis(4-tert-butylphenyl)phenyl]anthracen-9-yl]phenyl]phenyl]fluoren-9-yl]phenyl]phenyl]anthracene?
9-[3,5-bis(4-tert-butylphenyl)phenyl]-10-[4-[4-[9-[4-[4-[10-[3,5-bis(4-tert-butylphenyl)phenyl]anthracen-9-yl]phenyl]phenyl]fluoren-9-yl]phenyl]phenyl]anthracene has a molecular weight of 1504.07 g/mol, XLogP of 32.52, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3,5-bis(4-tert-butylphenyl)phenyl]-10-[4-[4-[9-[4-[4-[10-[3,5-bis(4-tert-butylphenyl)phenyl]anthracen-9-yl]phenyl]phenyl]fluoren-9-yl]phenyl]phenyl]anthracene is sourced from PubChem (CID 22895266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).