5-benzo[c]phenanthren-5-ylbenzo[c]phenanthrene;5-(10-benzo[c]phenanthren-5-yl-2,6-ditert-butylanthracen-9-yl)benzo[c]phenanthrene;5-(4-benzo[c]phenanthren-5-ylphenyl)benzo[c]phenanthrene

C136H94 — CID 158647799

IUPAC5-benzo[c]phenanthren-5-ylbenzo[c]phenanthrene;5-(10-benzo[c]phenanthren-5-yl-2,6-ditert-butylanthracen-9-yl)benzo[c]phenanthrene;5-(4-benzo[c]phenanthren-5-ylphenyl)benzo[c]phenanthrene
SMILESCC(C)(C)c1ccc2c(-c3cc4ccc5ccccc5c4c4ccccc34)c3cc(C(C)(C)C)ccc3c(-c3cc4ccc5ccccc5c4c4ccccc34)c2c1.c1ccc2c(c1)ccc1cc(-c3cc4ccc5ccccc5c4c4ccccc34)c3ccccc3c12.c1ccc2c(c1)ccc1cc(-c3ccc(-c4cc5ccc6ccccc6c5c5ccccc45)cc3)c3ccccc3c12
InChIInChI=1S/C58H46.C42H26.C36H22/c1-57(2,3)39-27-29-47-51(33-39)55(49-31-37-25-23-35-15-7-9-17-41(35)53(37)45-21-13-11-19-43(45)49)48-30-28-40(58(4,5)6)34-52(48)56(47)50-32-38-26-24-36-16-8-10-18-42(36)54(38)46-22-14-12-20-44(46)50;1-3-11-33-27(9-1)21-23-31-25-39(35-13-5-7-15-37(35)41(31)33)29-17-19-30(20-18-29)40-26-32-24-22-28-10-2-4-12-34(28)42(32)38-16-8-6-14-36(38)40;1-3-11-27-23(9-1)17-19-25-21-33(29-13-5-7-15-31(29)35(25)27)34-22-26-20-18-24-10-2-4-12-28(24)36(26)32-16-8-6-14-30(32)34/h7-34H,1-6H3;1-26H;1-22H
InChIKeyIBEJHRBQVRAKGL-UHFFFAOYSA-N
MW1728.25 g/mol
LogP39.05
Rot. Bonds5

About 5-benzo[c]phenanthren-5-ylbenzo[c]phenanthrene;5-(10-benzo[c]phenanthren-5-yl-2,6-ditert-butylanthracen-9-yl)benzo[c]phenanthrene;5-(4-benzo[c]phenanthren-5-ylphenyl)benzo[c]phenanthrene

5-benzo[c]phenanthren-5-ylbenzo[c]phenanthrene;5-(10-benzo[c]phenanthren-5-yl-2,6-ditert-butylanthracen-9-yl)benzo[c]phenanthrene;5-(4-benzo[c]phenanthren-5-ylphenyl)benzo[c]phenanthrene (PubChem CID 158647799) has the molecular formula C136H94 and a molecular weight of 1728.25 g/mol. Its IUPAC name is 5-benzo[c]phenanthren-5-ylbenzo[c]phenanthrene;5-(10-benzo[c]phenanthren-5-yl-2,6-ditert-butylanthracen-9-yl)benzo[c]phenanthrene;5-(4-benzo[c]phenanthren-5-ylphenyl)benzo[c]phenanthrene.

Molecular Properties

Compound Name5-benzo[c]phenanthren-5-ylbenzo[c]phenanthrene;5-(10-benzo[c]phenanthren-5-yl-2,6-ditert-butylanthracen-9-yl)benzo[c]phenanthrene;5-(4-benzo[c]phenanthren-5-ylphenyl)benzo[c]phenanthrene
PubChem CID158647799
Molecular FormulaC136H94
Molecular Weight1728.25 g/mol
Exact Mass1726.74
IUPAC Name5-benzo[c]phenanthren-5-ylbenzo[c]phenanthrene;5-(10-benzo[c]phenanthren-5-yl-2,6-ditert-butylanthracen-9-yl)benzo[c]phenanthrene;5-(4-benzo[c]phenanthren-5-ylphenyl)benzo[c]phenanthrene
SMILESCC(C)(C)c1ccc2c(-c3cc4ccc5ccccc5c4c4ccccc34)c3cc(C(C)(C)C)ccc3c(-c3cc4ccc5ccccc5c4c4ccccc34)c2c1.c1ccc2c(c1)ccc1cc(-c3cc4ccc5ccccc5c4c4ccccc34)c3ccccc3c12.c1ccc2c(c1)ccc1cc(-c3ccc(-c4cc5ccc6ccccc6c5c5ccccc45)cc3)c3ccccc3c12
InChIInChI=1S/C58H46.C42H26.C36H22/c1-57(2,3)39-27-29-47-51(33-39)55(49-31-37-25-23-35-15-7-9-17-41(35)53(37)45-21-13-11-19-43(45)49)48-30-28-40(58(4,5)6)34-52(48)56(47)50-32-38-26-24-36-16-8-10-18-42(36)54(38)46-22-14-12-20-44(46)50;1-3-11-33-27(9-1)21-23-31-25-39(35-13-5-7-15-37(35)41(31)33)29-17-19-30(20-18-29)40-26-32-24-22-28-10-2-4-12-34(28)42(32)38-16-8-6-14-36(38)40;1-3-11-27-23(9-1)17-19-25-21-33(29-13-5-7-15-31(29)35(25)27)34-22-26-20-18-24-10-2-4-12-28(24)36(26)32-16-8-6-14-30(32)34/h7-34H,1-6H3;1-26H;1-22H
InChIKeyIBEJHRBQVRAKGL-UHFFFAOYSA-N
XLogP39.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms136
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001728.25
LogP ≤ 539.05
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'}

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Related Compounds

5-(10-benzo[c]phenanthren-5-yl-2-naphthalen-2-ylanthracen-9-yl)benzo[c]phenanthrene
CID 59622690
7-tert-butyl-3,10-dinaphthalen-2-ylpentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4(9),5,7,10,12,15,17,19,21-undecaene
CID 58453918
2,6-ditert-butyl-9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene
CID 140869806
1-(2-tert-butyl-10-pyren-1-ylanthracen-9-yl)pyrene
CID 71414007
9-(4-tert-butylphenyl)-10-phenanthren-9-ylanthracene
CID 59592442
5-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]benzo[c]phenanthrene
CID 59622740
7-tert-butyl-3,10-dinaphthalen-2-ylpentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4(9),5,7,10,12,15,17,19,21-undecaene;18-tert-butyl-3,10-dinaphthalen-2-ylpentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15(20),16,18,21-undecaene;7-tert-butyl-3,10-dinaphthalen-2-yl-18-phenylpentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4(9),5,7,10,12,15(20),16,18,21-undecaene
CID 157104770
1-(3-tert-butyl-10-phenylanthracen-9-yl)pyrene
CID 140869475
2-tert-butyl-9-naphthalen-2-yl-10-phenanthren-9-ylanthracene;1-methyl-9-(10-naphthalen-2-ylanthracen-9-yl)phenanthrene;9-naphthalen-2-yl-10-(6-naphthalen-1-ylnaphthalen-2-yl)anthracene;9-(6-naphthalen-1-ylnaphthalen-2-yl)-10-phenanthren-9-ylanthracene;9-(6-naphthalen-2-ylnaphthalen-2-yl)-10-phenanthren-9-ylanthracene;9-naphthalen-2-yl-10-phenanthren-9-ylanthracene;9-naphthalen-2-yl-10-(6-phenanthren-9-ylnaphthalen-2-yl)anthracene;9-naphthalen-2-yl-10-(6-phenylnaphthalen-2-yl)anthracene;9-phenanthren-9-yl-10-(6-phenanthren-9-ylnaphthalen-2-yl)anthracene;bis(9-phenanthren-9-yl-10-(6-phenylnaphthalen-2-yl)anthracene);9-phenanthren-9-yl-10-[6-(2-phenylphenyl)naphthalen-2-yl]anthracene
CID 162182447
5-[10-[3-[3-(3,5-diphenylphenyl)phenyl]-5-phenylphenyl]anthracen-9-yl]benzo[c]phenanthrene
CID 123600813
6-[2-tert-butyl-10-(4-phenyl-2-pyren-1-ylquinolin-6-yl)anthracen-9-yl]-4-phenyl-2-pyren-1-ylquinoline
CID 141395548
2,6-ditert-butyl-9-(4-naphthalen-2-ylphenyl)-10-(2-phenylphenyl)anthracene
CID 58830813

Frequently Asked Questions

What is the IUPAC name of 5-benzo[c]phenanthren-5-ylbenzo[c]phenanthrene;5-(10-benzo[c]phenanthren-5-yl-2,6-ditert-butylanthracen-9-yl)benzo[c]phenanthrene;5-(4-benzo[c]phenanthren-5-ylphenyl)benzo[c]phenanthrene?
The IUPAC name of 5-benzo[c]phenanthren-5-ylbenzo[c]phenanthrene;5-(10-benzo[c]phenanthren-5-yl-2,6-ditert-butylanthracen-9-yl)benzo[c]phenanthrene;5-(4-benzo[c]phenanthren-5-ylphenyl)benzo[c]phenanthrene (CID 158647799) is 5-benzo[c]phenanthren-5-ylbenzo[c]phenanthrene;5-(10-benzo[c]phenanthren-5-yl-2,6-ditert-butylanthracen-9-yl)benzo[c]phenanthrene;5-(4-benzo[c]phenanthren-5-ylphenyl)benzo[c]phenanthrene.
What is the SMILES notation for 5-benzo[c]phenanthren-5-ylbenzo[c]phenanthrene;5-(10-benzo[c]phenanthren-5-yl-2,6-ditert-butylanthracen-9-yl)benzo[c]phenanthrene;5-(4-benzo[c]phenanthren-5-ylphenyl)benzo[c]phenanthrene?
The canonical SMILES for 5-benzo[c]phenanthren-5-ylbenzo[c]phenanthrene;5-(10-benzo[c]phenanthren-5-yl-2,6-ditert-butylanthracen-9-yl)benzo[c]phenanthrene;5-(4-benzo[c]phenanthren-5-ylphenyl)benzo[c]phenanthrene is CC(C)(C)c1ccc2c(-c3cc4ccc5ccccc5c4c4ccccc34)c3cc(C(C)(C)C)ccc3c(-c3cc4ccc5ccccc5c4c4ccccc34)c2c1.c1ccc2c(c1)ccc1cc(-c3cc4ccc5ccccc5c4c4ccccc34)c3ccccc3c12.c1ccc2c(c1)ccc1cc(-c3ccc(-c4cc5ccc6ccccc6c5c5ccccc45)cc3)c3ccccc3c12.
What is the InChIKey of 5-benzo[c]phenanthren-5-ylbenzo[c]phenanthrene;5-(10-benzo[c]phenanthren-5-yl-2,6-ditert-butylanthracen-9-yl)benzo[c]phenanthrene;5-(4-benzo[c]phenanthren-5-ylphenyl)benzo[c]phenanthrene?
The InChIKey is IBEJHRBQVRAKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H46.C42H26.C36H22/c1-57(2,3)39-27-29-47-51(33-39)55(49-31-37-25-23-35-15-7-9-17-41(35)53(37)45-21-13-11-19-43(45)49)48-30-28-40(58(4,5)6)34-52(48)56(47)50-32-38-26-24-36-16-8-10-18-42(36)54(38)46-22-14-12-20-44(46)50;1-3-11-33-27(9-1)21-23-31-25-39(35-13-5-7-15-37(35)41(31)33)29-17-19-30(20-18-29)40-26-32-24-22-28-10-2-4-12-34(28)42(32)38-16-8-6-14-36(38)40;1-3-11-27-23(9-1)17-19-25-21-33(29-13-5-7-15-31(29)35(25)27)34-22-26-20-18-24-10-2-4-12-28(24)36(26)32-16-8-6-14-30(32)34/h7-34H,1-6H3;1-26H;1-22H.
What are the key properties of 5-benzo[c]phenanthren-5-ylbenzo[c]phenanthrene;5-(10-benzo[c]phenanthren-5-yl-2,6-ditert-butylanthracen-9-yl)benzo[c]phenanthrene;5-(4-benzo[c]phenanthren-5-ylphenyl)benzo[c]phenanthrene?
5-benzo[c]phenanthren-5-ylbenzo[c]phenanthrene;5-(10-benzo[c]phenanthren-5-yl-2,6-ditert-butylanthracen-9-yl)benzo[c]phenanthrene;5-(4-benzo[c]phenanthren-5-ylphenyl)benzo[c]phenanthrene has a molecular weight of 1728.25 g/mol, XLogP of 39.05, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzo[c]phenanthren-5-ylbenzo[c]phenanthrene;5-(10-benzo[c]phenanthren-5-yl-2,6-ditert-butylanthracen-9-yl)benzo[c]phenanthrene;5-(4-benzo[c]phenanthren-5-ylphenyl)benzo[c]phenanthrene is sourced from PubChem (CID 158647799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).