21-[10-(2-phenylphenyl)anthracen-9-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),11,15,17,19,21-decaene

C48H32 — CID 167515742

IUPAC21-[10-(2-phenylphenyl)anthracen-9-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),11,15,17,19,21-decaene
SMILESC1=Cc2c(c3ccccc3c3cc(-c4c5ccccc5c(-c5ccccc5-c5ccccc5)c5ccccc45)c4ccccc4c23)CC1
InChIInChI=1S/C48H32/c1-2-16-31(17-3-1)32-18-4-9-23-37(32)46-40-26-12-14-28-42(40)48(43-29-15-13-27-41(43)46)45-30-44-35-21-6-5-19-33(35)34-20-7-10-24-38(34)47(44)39-25-11-8-22-36(39)45/h1-6,8-19,21-30H,7,20H2
InChIKeyABPHPUYUUXSDIF-UHFFFAOYSA-N
MW608.78 g/mol
LogP13.41
Rot. Bonds3

About 21-[10-(2-phenylphenyl)anthracen-9-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),11,15,17,19,21-decaene

21-[10-(2-phenylphenyl)anthracen-9-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),11,15,17,19,21-decaene (PubChem CID 167515742) has the molecular formula C48H32 and a molecular weight of 608.78 g/mol. Its IUPAC name is 21-[10-(2-phenylphenyl)anthracen-9-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),11,15,17,19,21-decaene.

Molecular Properties

Compound Name21-[10-(2-phenylphenyl)anthracen-9-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),11,15,17,19,21-decaene
PubChem CID167515742
Molecular FormulaC48H32
Molecular Weight608.78 g/mol
Exact Mass608.25
IUPAC Name21-[10-(2-phenylphenyl)anthracen-9-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),11,15,17,19,21-decaene
SMILESC1=Cc2c(c3ccccc3c3cc(-c4c5ccccc5c(-c5ccccc5-c5ccccc5)c5ccccc45)c4ccccc4c23)CC1
InChIInChI=1S/C48H32/c1-2-16-31(17-3-1)32-18-4-9-23-37(32)46-40-26-12-14-28-42(40)48(43-29-15-13-27-41(43)46)45-30-44-35-21-6-5-19-33(35)34-20-7-10-24-38(34)47(44)39-25-11-8-22-36(39)45/h1-6,8-19,21-30H,7,20H2
InChIKeyABPHPUYUUXSDIF-UHFFFAOYSA-N
XLogP13.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.78
LogP ≤ 513.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 21-[10-(2-phenylphenyl)anthracen-9-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),11,15,17,19,21-decaene with MolForge

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

Launch Full Analysis

Related Compounds

21-[10-(4-phenyl-5,6-dihydronaphthalen-1-yl)anthracen-9-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 166019929
9-phenyl-10-(4-phenyl-5,6-dihydronaphthalen-1-yl)anthracene
CID 164717350
9-phenyl-10-(4-phenyl-7,8-dihydronaphthalen-1-yl)anthracene
CID 145174557
21-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 156656861
7-[10-(2-phenylphenyl)-3,4-dihydroanthracen-9-yl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 144583429
7-[10-(2-phenylphenyl)anthracen-9-yl]-1,2-dihydronaphtho[1,2-b][1]benzofuran
CID 155205350
9-(3-phenylphenyl)-10-[3-(3-phenylphenyl)phenyl]-1,2-dihydroanthracene
CID 144568833
6,7-dimethyl-3,10-diphenylheptacyclo[14.11.1.02,11.04,9.012,28.017,26.018,23]octacosa-1(28),2,4(9),5,7,10,12,14,16,18,20,22,24,26-tetradecaene;23,30-diphenylnonacyclo[19.14.1.02,19.04,17.05,10.011,16.022,31.024,29.032,36]hexatriaconta-1(36),2,4(17),5(10),6,11,13,15,18,20,22,24,26,28,30,32,34-heptadecaene;phosphinous acid
CID 143940944
6-methyl-1,2-dihydrotriphenylene
CID 123255484
9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene
CID 21043381
9-phenanthren-9-yl-10-(2-phenylphenyl)anthracene
CID 58050569
7-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-1,2-dihydronaphtho[1,2-b][1]benzofuran
CID 155205865

Frequently Asked Questions

What is the IUPAC name of 21-[10-(2-phenylphenyl)anthracen-9-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),11,15,17,19,21-decaene?
The IUPAC name of 21-[10-(2-phenylphenyl)anthracen-9-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),11,15,17,19,21-decaene (CID 167515742) is 21-[10-(2-phenylphenyl)anthracen-9-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),11,15,17,19,21-decaene.
What is the SMILES notation for 21-[10-(2-phenylphenyl)anthracen-9-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),11,15,17,19,21-decaene?
The canonical SMILES for 21-[10-(2-phenylphenyl)anthracen-9-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),11,15,17,19,21-decaene is C1=Cc2c(c3ccccc3c3cc(-c4c5ccccc5c(-c5ccccc5-c5ccccc5)c5ccccc45)c4ccccc4c23)CC1.
What is the InChIKey of 21-[10-(2-phenylphenyl)anthracen-9-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),11,15,17,19,21-decaene?
The InChIKey is ABPHPUYUUXSDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32/c1-2-16-31(17-3-1)32-18-4-9-23-37(32)46-40-26-12-14-28-42(40)48(43-29-15-13-27-41(43)46)45-30-44-35-21-6-5-19-33(35)34-20-7-10-24-38(34)47(44)39-25-11-8-22-36(39)45/h1-6,8-19,21-30H,7,20H2.
What are the key properties of 21-[10-(2-phenylphenyl)anthracen-9-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),11,15,17,19,21-decaene?
21-[10-(2-phenylphenyl)anthracen-9-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),11,15,17,19,21-decaene has a molecular weight of 608.78 g/mol, XLogP of 13.41, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 21-[10-(2-phenylphenyl)anthracen-9-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),11,15,17,19,21-decaene is sourced from PubChem (CID 167515742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).