9-[3-methyl-5-(3-methyl-5-phenanthren-9-ylphenyl)phenyl]phenanthrene;9-[3-(4-naphthalen-2-ylphenyl)phenyl]phenanthrene;9-[4-(3-naphthalen-2-ylphenyl)phenyl]phenanthrene;3-[3-(4-phenanthren-9-ylphenyl)phenyl]phenanthrene;9-[3-(3-phenanthren-9-ylphenyl)phenyl]phenanthrene;9-[3-(4-phenanthren-9-ylphenyl)phenyl]phenanthrene;9-[4-(4-phenanthren-9-ylphenyl)phenyl]phenanthrene

C274H182 — CID 158279425

IUPAC9-[3-methyl-5-(3-methyl-5-phenanthren-9-ylphenyl)phenyl]phenanthrene;9-[3-(4-naphthalen-2-ylphenyl)phenyl]phenanthrene;9-[4-(3-naphthalen-2-ylphenyl)phenyl]phenanthrene;3-[3-(4-phenanthren-9-ylphenyl)phenyl]phenanthrene;9-[3-(3-phenanthren-9-ylphenyl)phenyl]phenanthrene;9-[3-(4-phenanthren-9-ylphenyl)phenyl]phenanthrene;9-[4-(4-phenanthren-9-ylphenyl)phenyl]phenanthrene
SMILESCc1cc(-c2cc(C)cc(-c3cc4ccccc4c4ccccc34)c2)cc(-c2cc3ccccc3c3ccccc23)c1.c1cc(-c2ccc(-c3cc4ccccc4c4ccccc34)cc2)cc(-c2cc3ccccc3c3ccccc23)c1.c1cc(-c2ccc(-c3cc4ccccc4c4ccccc34)cc2)cc(-c2ccc3ccc4ccccc4c3c2)c1.c1cc(-c2ccc(-c3cc4ccccc4c4ccccc34)cc2)cc(-c2ccc3ccccc3c2)c1.c1cc(-c2ccc(-c3ccc4ccccc4c3)cc2)cc(-c2cc3ccccc3c3ccccc23)c1.c1cc(-c2cccc(-c3cc4ccccc4c4ccccc34)c2)cc(-c2cc3ccccc3c3ccccc23)c1.c1ccc2c(c1)cc(-c1ccc(-c3ccc(-c4cc5ccccc5c5ccccc45)cc3)cc1)c1ccccc12
InChIInChI=1S/C42H30.4C40H26.2C36H24/c1-27-19-31(23-33(21-27)41-25-29-11-3-5-13-35(29)37-15-7-9-17-39(37)41)32-20-28(2)22-34(24-32)42-26-30-12-4-6-14-36(30)38-16-8-10-18-40(38)42;1-3-17-33-31(11-1)25-39(37-21-7-5-19-35(33)37)29-15-9-13-27(23-29)28-14-10-16-30(24-28)40-26-32-12-2-4-18-34(32)36-20-6-8-22-38(36)40;1-3-14-33-31(10-1)25-39(37-18-7-5-16-35(33)37)28-22-20-27(21-23-28)29-12-9-13-30(24-29)40-26-32-11-2-4-15-34(32)36-17-6-8-19-38(36)40;1-3-11-33-31(9-1)25-39(37-15-7-5-13-35(33)37)29-21-17-27(18-22-29)28-19-23-30(24-20-28)40-26-32-10-2-4-12-34(32)36-14-6-8-16-38(36)40;1-3-12-35-28(8-1)20-21-29-22-23-33(25-39(29)35)32-11-7-10-31(24-32)27-16-18-30(19-17-27)40-26-34-9-2-4-13-36(34)37-14-5-6-15-38(37)40;1-2-9-28-23-31(21-18-25(28)8-1)30-12-7-11-29(22-30)26-16-19-27(20-17-26)36-24-32-10-3-4-13-33(32)34-14-5-6-15-35(34)36;1-2-9-28-22-30(21-20-25(28)8-1)27-18-16-26(17-19-27)29-11-7-12-31(23-29)36-24-32-10-3-4-13-33(32)34-14-5-6-15-35(34)36/h3-26H,1-2H3;4*1-26H;2*1-24H
InChIKeyGKAJTKFYFHGVOW-UHFFFAOYSA-N
MW3474.47 g/mol
LogP77.41
Rot. Bonds21

About 9-[3-methyl-5-(3-methyl-5-phenanthren-9-ylphenyl)phenyl]phenanthrene;9-[3-(4-naphthalen-2-ylphenyl)phenyl]phenanthrene;9-[4-(3-naphthalen-2-ylphenyl)phenyl]phenanthrene;3-[3-(4-phenanthren-9-ylphenyl)phenyl]phenanthrene;9-[3-(3-phenanthren-9-ylphenyl)phenyl]phenanthrene;9-[3-(4-phenanthren-9-ylphenyl)phenyl]phenanthrene;9-[4-(4-phenanthren-9-ylphenyl)phenyl]phenanthrene

9-[3-methyl-5-(3-methyl-5-phenanthren-9-ylphenyl)phenyl]phenanthrene;9-[3-(4-naphthalen-2-ylphenyl)phenyl]phenanthrene;9-[4-(3-naphthalen-2-ylphenyl)phenyl]phenanthrene;3-[3-(4-phenanthren-9-ylphenyl)phenyl]phenanthrene;9-[3-(3-phenanthren-9-ylphenyl)phenyl]phenanthrene;9-[3-(4-phenanthren-9-ylphenyl)phenyl]phenanthrene;9-[4-(4-phenanthren-9-ylphenyl)phenyl]phenanthrene (PubChem CID 158279425) has the molecular formula C274H182 and a molecular weight of 3474.47 g/mol. Its IUPAC name is 9-[3-methyl-5-(3-methyl-5-phenanthren-9-ylphenyl)phenyl]phenanthrene;9-[3-(4-naphthalen-2-ylphenyl)phenyl]phenanthrene;9-[4-(3-naphthalen-2-ylphenyl)phenyl]phenanthrene;3-[3-(4-phenanthren-9-ylphenyl)phenyl]phenanthrene;9-[3-(3-phenanthren-9-ylphenyl)phenyl]phenanthrene;9-[3-(4-phenanthren-9-ylphenyl)phenyl]phenanthrene;9-[4-(4-phenanthren-9-ylphenyl)phenyl]phenanthrene.

Molecular Properties

Compound Name9-[3-methyl-5-(3-methyl-5-phenanthren-9-ylphenyl)phenyl]phenanthrene;9-[3-(4-naphthalen-2-ylphenyl)phenyl]phenanthrene;9-[4-(3-naphthalen-2-ylphenyl)phenyl]phenanthrene;3-[3-(4-phenanthren-9-ylphenyl)phenyl]phenanthrene;9-[3-(3-phenanthren-9-ylphenyl)phenyl]phenanthrene;9-[3-(4-phenanthren-9-ylphenyl)phenyl]phenanthrene;9-[4-(4-phenanthren-9-ylphenyl)phenyl]phenanthrene
PubChem CID158279425
Molecular FormulaC274H182
Molecular Weight3474.47 g/mol
Exact Mass3471.42
IUPAC Name9-[3-methyl-5-(3-methyl-5-phenanthren-9-ylphenyl)phenyl]phenanthrene;9-[3-(4-naphthalen-2-ylphenyl)phenyl]phenanthrene;9-[4-(3-naphthalen-2-ylphenyl)phenyl]phenanthrene;3-[3-(4-phenanthren-9-ylphenyl)phenyl]phenanthrene;9-[3-(3-phenanthren-9-ylphenyl)phenyl]phenanthrene;9-[3-(4-phenanthren-9-ylphenyl)phenyl]phenanthrene;9-[4-(4-phenanthren-9-ylphenyl)phenyl]phenanthrene
SMILESCc1cc(-c2cc(C)cc(-c3cc4ccccc4c4ccccc34)c2)cc(-c2cc3ccccc3c3ccccc23)c1.c1cc(-c2ccc(-c3cc4ccccc4c4ccccc34)cc2)cc(-c2cc3ccccc3c3ccccc23)c1.c1cc(-c2ccc(-c3cc4ccccc4c4ccccc34)cc2)cc(-c2ccc3ccc4ccccc4c3c2)c1.c1cc(-c2ccc(-c3cc4ccccc4c4ccccc34)cc2)cc(-c2ccc3ccccc3c2)c1.c1cc(-c2ccc(-c3ccc4ccccc4c3)cc2)cc(-c2cc3ccccc3c3ccccc23)c1.c1cc(-c2cccc(-c3cc4ccccc4c4ccccc34)c2)cc(-c2cc3ccccc3c3ccccc23)c1.c1ccc2c(c1)cc(-c1ccc(-c3ccc(-c4cc5ccccc5c5ccccc45)cc3)cc1)c1ccccc12
InChIInChI=1S/C42H30.4C40H26.2C36H24/c1-27-19-31(23-33(21-27)41-25-29-11-3-5-13-35(29)37-15-7-9-17-39(37)41)32-20-28(2)22-34(24-32)42-26-30-12-4-6-14-36(30)38-16-8-10-18-40(38)42;1-3-17-33-31(11-1)25-39(37-21-7-5-19-35(33)37)29-15-9-13-27(23-29)28-14-10-16-30(24-28)40-26-32-12-2-4-18-34(32)36-20-6-8-22-38(36)40;1-3-14-33-31(10-1)25-39(37-18-7-5-16-35(33)37)28-22-20-27(21-23-28)29-12-9-13-30(24-29)40-26-32-11-2-4-15-34(32)36-17-6-8-19-38(36)40;1-3-11-33-31(9-1)25-39(37-15-7-5-13-35(33)37)29-21-17-27(18-22-29)28-19-23-30(24-20-28)40-26-32-10-2-4-12-34(32)36-14-6-8-16-38(36)40;1-3-12-35-28(8-1)20-21-29-22-23-33(25-39(29)35)32-11-7-10-31(24-32)27-16-18-30(19-17-27)40-26-34-9-2-4-13-36(34)37-14-5-6-15-38(37)40;1-2-9-28-23-31(21-18-25(28)8-1)30-12-7-11-29(22-30)26-16-19-27(20-17-26)36-24-32-10-3-4-13-33(32)34-14-5-6-15-35(34)36;1-2-9-28-22-30(21-20-25(28)8-1)27-18-16-26(17-19-27)29-11-7-12-31(23-29)36-24-32-10-3-4-13-33(32)34-14-5-6-15-35(34)36/h3-26H,1-2H3;4*1-26H;2*1-24H
InChIKeyGKAJTKFYFHGVOW-UHFFFAOYSA-N
XLogP77.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds21
Heavy Atoms274
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003474.47
LogP ≤ 577.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 9-[3-methyl-5-(3-methyl-5-phenanthren-9-ylphenyl)phenyl]phenanthrene;9-[3-(4-naphthalen-2-ylphenyl)phenyl]phenanthrene;9-[4-(3-naphthalen-2-ylphenyl)phenyl]phenanthrene;3-[3-(4-phenanthren-9-ylphenyl)phenyl]phenanthrene;9-[3-(3-phenanthren-9-ylphenyl)phenyl]phenanthrene;9-[3-(4-phenanthren-9-ylphenyl)phenyl]phenanthrene;9-[4-(4-phenanthren-9-ylphenyl)phenyl]phenanthrene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[3-methyl-5-(3-methyl-5-phenanthren-9-ylphenyl)phenyl]phenanthrene;9-[3-(4-naphthalen-2-ylphenyl)phenyl]phenanthrene;9-[4-(3-naphthalen-2-ylphenyl)phenyl]phenanthrene;3-[3-(4-phenanthren-9-ylphenyl)phenyl]phenanthrene;9-[3-(3-phenanthren-9-ylphenyl)phenyl]phenanthrene;9-[3-(4-phenanthren-9-ylphenyl)phenyl]phenanthrene;9-[4-(4-phenanthren-9-ylphenyl)phenyl]phenanthrene?
The IUPAC name of 9-[3-methyl-5-(3-methyl-5-phenanthren-9-ylphenyl)phenyl]phenanthrene;9-[3-(4-naphthalen-2-ylphenyl)phenyl]phenanthrene;9-[4-(3-naphthalen-2-ylphenyl)phenyl]phenanthrene;3-[3-(4-phenanthren-9-ylphenyl)phenyl]phenanthrene;9-[3-(3-phenanthren-9-ylphenyl)phenyl]phenanthrene;9-[3-(4-phenanthren-9-ylphenyl)phenyl]phenanthrene;9-[4-(4-phenanthren-9-ylphenyl)phenyl]phenanthrene (CID 158279425) is 9-[3-methyl-5-(3-methyl-5-phenanthren-9-ylphenyl)phenyl]phenanthrene;9-[3-(4-naphthalen-2-ylphenyl)phenyl]phenanthrene;9-[4-(3-naphthalen-2-ylphenyl)phenyl]phenanthrene;3-[3-(4-phenanthren-9-ylphenyl)phenyl]phenanthrene;9-[3-(3-phenanthren-9-ylphenyl)phenyl]phenanthrene;9-[3-(4-phenanthren-9-ylphenyl)phenyl]phenanthrene;9-[4-(4-phenanthren-9-ylphenyl)phenyl]phenanthrene.
What is the SMILES notation for 9-[3-methyl-5-(3-methyl-5-phenanthren-9-ylphenyl)phenyl]phenanthrene;9-[3-(4-naphthalen-2-ylphenyl)phenyl]phenanthrene;9-[4-(3-naphthalen-2-ylphenyl)phenyl]phenanthrene;3-[3-(4-phenanthren-9-ylphenyl)phenyl]phenanthrene;9-[3-(3-phenanthren-9-ylphenyl)phenyl]phenanthrene;9-[3-(4-phenanthren-9-ylphenyl)phenyl]phenanthrene;9-[4-(4-phenanthren-9-ylphenyl)phenyl]phenanthrene?
The canonical SMILES for 9-[3-methyl-5-(3-methyl-5-phenanthren-9-ylphenyl)phenyl]phenanthrene;9-[3-(4-naphthalen-2-ylphenyl)phenyl]phenanthrene;9-[4-(3-naphthalen-2-ylphenyl)phenyl]phenanthrene;3-[3-(4-phenanthren-9-ylphenyl)phenyl]phenanthrene;9-[3-(3-phenanthren-9-ylphenyl)phenyl]phenanthrene;9-[3-(4-phenanthren-9-ylphenyl)phenyl]phenanthrene;9-[4-(4-phenanthren-9-ylphenyl)phenyl]phenanthrene is Cc1cc(-c2cc(C)cc(-c3cc4ccccc4c4ccccc34)c2)cc(-c2cc3ccccc3c3ccccc23)c1.c1cc(-c2ccc(-c3cc4ccccc4c4ccccc34)cc2)cc(-c2cc3ccccc3c3ccccc23)c1.c1cc(-c2ccc(-c3cc4ccccc4c4ccccc34)cc2)cc(-c2ccc3ccc4ccccc4c3c2)c1.c1cc(-c2ccc(-c3cc4ccccc4c4ccccc34)cc2)cc(-c2ccc3ccccc3c2)c1.c1cc(-c2ccc(-c3ccc4ccccc4c3)cc2)cc(-c2cc3ccccc3c3ccccc23)c1.c1cc(-c2cccc(-c3cc4ccccc4c4ccccc34)c2)cc(-c2cc3ccccc3c3ccccc23)c1.c1ccc2c(c1)cc(-c1ccc(-c3ccc(-c4cc5ccccc5c5ccccc45)cc3)cc1)c1ccccc12.
What is the InChIKey of 9-[3-methyl-5-(3-methyl-5-phenanthren-9-ylphenyl)phenyl]phenanthrene;9-[3-(4-naphthalen-2-ylphenyl)phenyl]phenanthrene;9-[4-(3-naphthalen-2-ylphenyl)phenyl]phenanthrene;3-[3-(4-phenanthren-9-ylphenyl)phenyl]phenanthrene;9-[3-(3-phenanthren-9-ylphenyl)phenyl]phenanthrene;9-[3-(4-phenanthren-9-ylphenyl)phenyl]phenanthrene;9-[4-(4-phenanthren-9-ylphenyl)phenyl]phenanthrene?
The InChIKey is GKAJTKFYFHGVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30.4C40H26.2C36H24/c1-27-19-31(23-33(21-27)41-25-29-11-3-5-13-35(29)37-15-7-9-17-39(37)41)32-20-28(2)22-34(24-32)42-26-30-12-4-6-14-36(30)38-16-8-10-18-40(38)42;1-3-17-33-31(11-1)25-39(37-21-7-5-19-35(33)37)29-15-9-13-27(23-29)28-14-10-16-30(24-28)40-26-32-12-2-4-18-34(32)36-20-6-8-22-38(36)40;1-3-14-33-31(10-1)25-39(37-18-7-5-16-35(33)37)28-22-20-27(21-23-28)29-12-9-13-30(24-29)40-26-32-11-2-4-15-34(32)36-17-6-8-19-38(36)40;1-3-11-33-31(9-1)25-39(37-15-7-5-13-35(33)37)29-21-17-27(18-22-29)28-19-23-30(24-20-28)40-26-32-10-2-4-12-34(32)36-14-6-8-16-38(36)40;1-3-12-35-28(8-1)20-21-29-22-23-33(25-39(29)35)32-11-7-10-31(24-32)27-16-18-30(19-17-27)40-26-34-9-2-4-13-36(34)37-14-5-6-15-38(37)40;1-2-9-28-23-31(21-18-25(28)8-1)30-12-7-11-29(22-30)26-16-19-27(20-17-26)36-24-32-10-3-4-13-33(32)34-14-5-6-15-35(34)36;1-2-9-28-22-30(21-20-25(28)8-1)27-18-16-26(17-19-27)29-11-7-12-31(23-29)36-24-32-10-3-4-13-33(32)34-14-5-6-15-35(34)36/h3-26H,1-2H3;4*1-26H;2*1-24H.
What are the key properties of 9-[3-methyl-5-(3-methyl-5-phenanthren-9-ylphenyl)phenyl]phenanthrene;9-[3-(4-naphthalen-2-ylphenyl)phenyl]phenanthrene;9-[4-(3-naphthalen-2-ylphenyl)phenyl]phenanthrene;3-[3-(4-phenanthren-9-ylphenyl)phenyl]phenanthrene;9-[3-(3-phenanthren-9-ylphenyl)phenyl]phenanthrene;9-[3-(4-phenanthren-9-ylphenyl)phenyl]phenanthrene;9-[4-(4-phenanthren-9-ylphenyl)phenyl]phenanthrene?
9-[3-methyl-5-(3-methyl-5-phenanthren-9-ylphenyl)phenyl]phenanthrene;9-[3-(4-naphthalen-2-ylphenyl)phenyl]phenanthrene;9-[4-(3-naphthalen-2-ylphenyl)phenyl]phenanthrene;3-[3-(4-phenanthren-9-ylphenyl)phenyl]phenanthrene;9-[3-(3-phenanthren-9-ylphenyl)phenyl]phenanthrene;9-[3-(4-phenanthren-9-ylphenyl)phenyl]phenanthrene;9-[4-(4-phenanthren-9-ylphenyl)phenyl]phenanthrene has a molecular weight of 3474.47 g/mol, XLogP of 77.41, 21 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-methyl-5-(3-methyl-5-phenanthren-9-ylphenyl)phenyl]phenanthrene;9-[3-(4-naphthalen-2-ylphenyl)phenyl]phenanthrene;9-[4-(3-naphthalen-2-ylphenyl)phenyl]phenanthrene;3-[3-(4-phenanthren-9-ylphenyl)phenyl]phenanthrene;9-[3-(3-phenanthren-9-ylphenyl)phenyl]phenanthrene;9-[3-(4-phenanthren-9-ylphenyl)phenyl]phenanthrene;9-[4-(4-phenanthren-9-ylphenyl)phenyl]phenanthrene is sourced from PubChem (CID 158279425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).