2-[6,12-bis(3-phenylphenyl)chrysen-2-yl]-6,12-diphenylchrysene

C72H46 — CID 58501319

IUPAC2-[6,12-bis(3-phenylphenyl)chrysen-2-yl]-6,12-diphenylchrysene
SMILESc1ccc(-c2cccc(-c3cc4c5ccc(-c6ccc7c(c6)c(-c6ccccc6)cc6c8ccccc8c(-c8ccccc8)cc76)cc5c(-c5cccc(-c6ccccc6)c5)cc4c4ccccc34)c2)cc1
InChIInChI=1S/C72H46/c1-5-19-47(20-6-1)51-27-17-29-55(39-51)65-45-72-62-38-36-54(42-68(62)66(46-70(72)60-34-16-14-32-58(60)65)56-30-18-28-52(40-56)48-21-7-2-8-22-48)53-35-37-61-67(41-53)64(50-25-11-4-12-26-50)44-69-59-33-15-13-31-57(59)63(43-71(61)69)49-23-9-3-10-24-49/h1-46H
InChIKeyQECHRNNBVLJERJ-UHFFFAOYSA-N
MW911.16 g/mol
LogP20.27
Rot. Bonds7

About 2-[6,12-bis(3-phenylphenyl)chrysen-2-yl]-6,12-diphenylchrysene

2-[6,12-bis(3-phenylphenyl)chrysen-2-yl]-6,12-diphenylchrysene (PubChem CID 58501319) has the molecular formula C72H46 and a molecular weight of 911.16 g/mol. Its IUPAC name is 2-[6,12-bis(3-phenylphenyl)chrysen-2-yl]-6,12-diphenylchrysene.

Molecular Properties

Compound Name2-[6,12-bis(3-phenylphenyl)chrysen-2-yl]-6,12-diphenylchrysene
PubChem CID58501319
Molecular FormulaC72H46
Molecular Weight911.16 g/mol
Exact Mass910.36
IUPAC Name2-[6,12-bis(3-phenylphenyl)chrysen-2-yl]-6,12-diphenylchrysene
SMILESc1ccc(-c2cccc(-c3cc4c5ccc(-c6ccc7c(c6)c(-c6ccccc6)cc6c8ccccc8c(-c8ccccc8)cc76)cc5c(-c5cccc(-c6ccccc6)c5)cc4c4ccccc34)c2)cc1
InChIInChI=1S/C72H46/c1-5-19-47(20-6-1)51-27-17-29-55(39-51)65-45-72-62-38-36-54(42-68(62)66(46-70(72)60-34-16-14-32-58(60)65)56-30-18-28-52(40-56)48-21-7-2-8-22-48)53-35-37-61-67(41-53)64(50-25-11-4-12-26-50)44-69-59-33-15-13-31-57(59)63(43-71(61)69)49-23-9-3-10-24-49/h1-46H
InChIKeyQECHRNNBVLJERJ-UHFFFAOYSA-N
XLogP20.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500911.16
LogP ≤ 520.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-[6,12-bis(3-phenylphenyl)chrysen-2-yl]-6,12-diphenylchrysene 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

2-phenyl-7-(3-phenylphenyl)triphenylene
CID 140787387
2-[3-[3-(3-phenylphenyl)phenyl]-5-[3-(4-phenylphenyl)phenyl]phenyl]triphenylene
CID 167425257
2-[3,5-bis(3,5-diphenylphenyl)phenyl]triphenylene
CID 167425355
6-naphthalen-2-yl-12-(4-naphthalen-1-ylphenyl)-2,8-diphenylchrysene
CID 59399019
2-[6,12-di(phenanthren-2-yl)chrysen-2-yl]-6,12-diphenylchrysene
CID 58501184
2-[4-(6-phenanthren-9-ylnaphthalen-2-yl)phenyl]triphenylene;2-[3-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]phenyl]triphenylene;2-[3-(3-triphenylen-2-ylphenyl)phenyl]triphenylene;2-[4-(4-triphenylen-2-ylphenyl)phenyl]triphenylene
CID 159620221
6-[4-(3-naphthalen-1-ylphenyl)phenyl]chrysene
CID 140792190
10-naphthalen-2-yl-21-(3-phenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene
CID 59629405
2-[2-methyl-4-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]triphenylene
CID 123442810
9-phenyl-10-[5-phenyl-8-[3-(4-phenylphenyl)phenyl]naphthalen-2-yl]anthracene
CID 144837443
10-naphthalen-2-yl-21-(4-naphthalen-1-ylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene;21-naphthalen-2-yl-10-(4-naphthalen-1-ylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene;10-naphthalen-2-yl-21-phenylpentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene;21-naphthalen-2-yl-10-phenylpentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene;10-naphthalen-2-yl-21-(3-phenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene;21-naphthalen-2-yl-10-(3-phenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene;21-naphthalen-2-yl-10-(4-phenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene
CID 158518187
9-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene;3-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-(3-phenylphenyl)phenanthrene;9-[6-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]phenanthrene;9-[3-(7-phenanthren-9-ylnaphthalen-2-yl)phenyl]phenanthrene;9-[4-[4-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]phenyl]phenanthrene
CID 159137471

Frequently Asked Questions

What is the IUPAC name of 2-[6,12-bis(3-phenylphenyl)chrysen-2-yl]-6,12-diphenylchrysene?
The IUPAC name of 2-[6,12-bis(3-phenylphenyl)chrysen-2-yl]-6,12-diphenylchrysene (CID 58501319) is 2-[6,12-bis(3-phenylphenyl)chrysen-2-yl]-6,12-diphenylchrysene.
What is the SMILES notation for 2-[6,12-bis(3-phenylphenyl)chrysen-2-yl]-6,12-diphenylchrysene?
The canonical SMILES for 2-[6,12-bis(3-phenylphenyl)chrysen-2-yl]-6,12-diphenylchrysene is c1ccc(-c2cccc(-c3cc4c5ccc(-c6ccc7c(c6)c(-c6ccccc6)cc6c8ccccc8c(-c8ccccc8)cc76)cc5c(-c5cccc(-c6ccccc6)c5)cc4c4ccccc34)c2)cc1.
What is the InChIKey of 2-[6,12-bis(3-phenylphenyl)chrysen-2-yl]-6,12-diphenylchrysene?
The InChIKey is QECHRNNBVLJERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H46/c1-5-19-47(20-6-1)51-27-17-29-55(39-51)65-45-72-62-38-36-54(42-68(62)66(46-70(72)60-34-16-14-32-58(60)65)56-30-18-28-52(40-56)48-21-7-2-8-22-48)53-35-37-61-67(41-53)64(50-25-11-4-12-26-50)44-69-59-33-15-13-31-57(59)63(43-71(61)69)49-23-9-3-10-24-49/h1-46H.
What are the key properties of 2-[6,12-bis(3-phenylphenyl)chrysen-2-yl]-6,12-diphenylchrysene?
2-[6,12-bis(3-phenylphenyl)chrysen-2-yl]-6,12-diphenylchrysene has a molecular weight of 911.16 g/mol, XLogP of 20.27, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6,12-bis(3-phenylphenyl)chrysen-2-yl]-6,12-diphenylchrysene is sourced from PubChem (CID 58501319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).