10-phenyl-9-(10-phenylanthracen-9-yl)-1,2-bis(2-phenylphenyl)anthracene

C64H42 — CID 158999824

IUPAC10-phenyl-9-(10-phenylanthracen-9-yl)-1,2-bis(2-phenylphenyl)anthracene
SMILESc1ccc(-c2ccccc2-c2ccc3c(-c4ccccc4)c4ccccc4c(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)c3c2-c2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C64H42/c1-5-23-43(24-6-1)47-31-13-15-33-49(47)57-41-42-58-60(46-29-11-4-12-30-46)53-37-19-22-40-56(53)63(64(58)61(57)50-34-16-14-32-48(50)44-25-7-2-8-26-44)62-54-38-20-17-35-51(54)59(45-27-9-3-10-28-45)52-36-18-21-39-55(52)62/h1-42H
InChIKeyJREYIMXNPQUFNG-UHFFFAOYSA-N
MW811.04 g/mol
LogP17.97
Rot. Bonds7

About 10-phenyl-9-(10-phenylanthracen-9-yl)-1,2-bis(2-phenylphenyl)anthracene

10-phenyl-9-(10-phenylanthracen-9-yl)-1,2-bis(2-phenylphenyl)anthracene (PubChem CID 158999824) has the molecular formula C64H42 and a molecular weight of 811.04 g/mol. Its IUPAC name is 10-phenyl-9-(10-phenylanthracen-9-yl)-1,2-bis(2-phenylphenyl)anthracene.

Molecular Properties

Compound Name10-phenyl-9-(10-phenylanthracen-9-yl)-1,2-bis(2-phenylphenyl)anthracene
PubChem CID158999824
Molecular FormulaC64H42
Molecular Weight811.04 g/mol
Exact Mass810.33
IUPAC Name10-phenyl-9-(10-phenylanthracen-9-yl)-1,2-bis(2-phenylphenyl)anthracene
SMILESc1ccc(-c2ccccc2-c2ccc3c(-c4ccccc4)c4ccccc4c(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)c3c2-c2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C64H42/c1-5-23-43(24-6-1)47-31-13-15-33-49(47)57-41-42-58-60(46-29-11-4-12-30-46)53-37-19-22-40-56(53)63(64(58)61(57)50-34-16-14-32-48(50)44-25-7-2-8-26-44)62-54-38-20-17-35-51(54)59(45-27-9-3-10-28-45)52-36-18-21-39-55(52)62/h1-42H
InChIKeyJREYIMXNPQUFNG-UHFFFAOYSA-N
XLogP17.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500811.04
LogP ≤ 517.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9-phenyl-10-[10-[4-(2-phenylphenyl)phenyl]anthracen-9-yl]anthracene
CID 140825339
9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene
CID 21043381
9-[2-(4-phenylphenyl)phenyl]-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 144568797
9-[5,8-bis(2-phenylphenyl)naphthalen-2-yl]-10-phenylanthracene
CID 144837329
9-(2-phenylphenyl)-20-(4-phenylphenyl)heptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaene
CID 59642746
9,31-diphenyl-16,38-bis(2-phenylphenyl)tridecacyclo[25.17.2.22,5.03,23.04,20.06,19.08,17.010,15.024,45.028,41.030,39.032,37.042,46]octatetraconta-1(44),2,4,6,8,10,12,14,16,18,20,22,24(45),25,27(46),28,30,32,34,36,38,40,42,47-tetracosaene
CID 58820779
2-[9,10-bis(2-phenylphenyl)anthracen-2-yl]-9,10-diphenylanthracene
CID 123147447
7,9,14,25,27-pentakis-phenyl-32-(2-phenylphenyl)undecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4(40),5,7,9,11,13,15,17,19(39),20,22(38),23,25,27,29,31,33,35-icosaene
CID 59080775
2-[10-[10-(2-phenylphenyl)anthracen-9-yl]anthracen-9-yl]triphenylene
CID 59583077
7,25-bis(2-phenylphenyl)-14,32-bis(4-phenylphenyl)undecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(37),2(40),3(19),4(16),5(39),6,8,10,12,14,17,20,22,24,26,28,30,32,34(38),35-icosaene;7,32-bis(2-phenylphenyl)-14,25-bis(4-phenylphenyl)undecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(36),2(40),3(19),4(16),5(39),6,8,10,12,14,17,20(37),21,23(38),24,26,28,30,32,34-icosaene
CID 158269561
9,10-bis[2-(4-phenylphenyl)phenyl]anthracene
CID 59090311
3,5,8,10,17-pentakis-phenyl-24-(2-phenylphenyl)octacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(28),2,4,6,8,10,12(29),13,15(30),16,18,20,22,24,26-pentadecaene
CID 140722698

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-9-(10-phenylanthracen-9-yl)-1,2-bis(2-phenylphenyl)anthracene?
The IUPAC name of 10-phenyl-9-(10-phenylanthracen-9-yl)-1,2-bis(2-phenylphenyl)anthracene (CID 158999824) is 10-phenyl-9-(10-phenylanthracen-9-yl)-1,2-bis(2-phenylphenyl)anthracene.
What is the SMILES notation for 10-phenyl-9-(10-phenylanthracen-9-yl)-1,2-bis(2-phenylphenyl)anthracene?
The canonical SMILES for 10-phenyl-9-(10-phenylanthracen-9-yl)-1,2-bis(2-phenylphenyl)anthracene is c1ccc(-c2ccccc2-c2ccc3c(-c4ccccc4)c4ccccc4c(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)c3c2-c2ccccc2-c2ccccc2)cc1.
What is the InChIKey of 10-phenyl-9-(10-phenylanthracen-9-yl)-1,2-bis(2-phenylphenyl)anthracene?
The InChIKey is JREYIMXNPQUFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42/c1-5-23-43(24-6-1)47-31-13-15-33-49(47)57-41-42-58-60(46-29-11-4-12-30-46)53-37-19-22-40-56(53)63(64(58)61(57)50-34-16-14-32-48(50)44-25-7-2-8-26-44)62-54-38-20-17-35-51(54)59(45-27-9-3-10-28-45)52-36-18-21-39-55(52)62/h1-42H.
What are the key properties of 10-phenyl-9-(10-phenylanthracen-9-yl)-1,2-bis(2-phenylphenyl)anthracene?
10-phenyl-9-(10-phenylanthracen-9-yl)-1,2-bis(2-phenylphenyl)anthracene has a molecular weight of 811.04 g/mol, XLogP of 17.97, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyl-9-(10-phenylanthracen-9-yl)-1,2-bis(2-phenylphenyl)anthracene is sourced from PubChem (CID 158999824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).