1-(2-phenyl-3-pyren-1-ylphenyl)pyrene;1-(2-phenyl-6-pyren-1-ylphenyl)pyrene;1-(4-phenyl-2-pyren-1-ylphenyl)pyrene

C132H78 — CID 158695743

IUPAC1-(2-phenyl-3-pyren-1-ylphenyl)pyrene;1-(2-phenyl-6-pyren-1-ylphenyl)pyrene;1-(4-phenyl-2-pyren-1-ylphenyl)pyrene
SMILESc1ccc(-c2c(-c3ccc4ccc5cccc6ccc3c4c56)cccc2-c2ccc3ccc4cccc5ccc2c3c45)cc1.c1ccc(-c2ccc(-c3ccc4ccc5cccc6ccc3c4c56)c(-c3ccc4ccc5cccc6ccc3c4c56)c2)cc1.c1ccc(-c2cccc(-c3ccc4ccc5cccc6ccc3c4c56)c2-c2ccc3ccc4cccc5ccc2c3c45)cc1
InChIInChI=1S/3C44H26/c1-2-7-27(8-3-1)42-36(34-23-19-32-17-15-28-9-4-11-30-21-25-38(34)43(32)40(28)30)13-6-14-37(42)35-24-20-33-18-16-29-10-5-12-31-22-26-39(35)44(33)41(29)31;1-2-7-27(8-3-1)34-13-6-14-36(35-23-19-32-17-15-28-9-4-11-30-20-24-37(35)42(32)40(28)30)44(34)39-26-22-33-18-16-29-10-5-12-31-21-25-38(39)43(33)41(29)31;1-2-6-27(7-3-1)34-20-23-36(35-21-16-32-14-12-28-8-4-10-30-18-24-38(35)43(32)41(28)30)40(26-34)37-22-17-33-15-13-29-9-5-11-31-19-25-39(37)44(33)42(29)31/h3*1-26H
InChIKeyIGXOEYUQSLUXRN-UHFFFAOYSA-N
MW1664.08 g/mol
LogP37.45
Rot. Bonds9

About 1-(2-phenyl-3-pyren-1-ylphenyl)pyrene;1-(2-phenyl-6-pyren-1-ylphenyl)pyrene;1-(4-phenyl-2-pyren-1-ylphenyl)pyrene

1-(2-phenyl-3-pyren-1-ylphenyl)pyrene;1-(2-phenyl-6-pyren-1-ylphenyl)pyrene;1-(4-phenyl-2-pyren-1-ylphenyl)pyrene (PubChem CID 158695743) has the molecular formula C132H78 and a molecular weight of 1664.08 g/mol. Its IUPAC name is 1-(2-phenyl-3-pyren-1-ylphenyl)pyrene;1-(2-phenyl-6-pyren-1-ylphenyl)pyrene;1-(4-phenyl-2-pyren-1-ylphenyl)pyrene.

Molecular Properties

Compound Name1-(2-phenyl-3-pyren-1-ylphenyl)pyrene;1-(2-phenyl-6-pyren-1-ylphenyl)pyrene;1-(4-phenyl-2-pyren-1-ylphenyl)pyrene
PubChem CID158695743
Molecular FormulaC132H78
Molecular Weight1664.08 g/mol
Exact Mass1662.61
IUPAC Name1-(2-phenyl-3-pyren-1-ylphenyl)pyrene;1-(2-phenyl-6-pyren-1-ylphenyl)pyrene;1-(4-phenyl-2-pyren-1-ylphenyl)pyrene
SMILESc1ccc(-c2c(-c3ccc4ccc5cccc6ccc3c4c56)cccc2-c2ccc3ccc4cccc5ccc2c3c45)cc1.c1ccc(-c2ccc(-c3ccc4ccc5cccc6ccc3c4c56)c(-c3ccc4ccc5cccc6ccc3c4c56)c2)cc1.c1ccc(-c2cccc(-c3ccc4ccc5cccc6ccc3c4c56)c2-c2ccc3ccc4cccc5ccc2c3c45)cc1
InChIInChI=1S/3C44H26/c1-2-7-27(8-3-1)42-36(34-23-19-32-17-15-28-9-4-11-30-21-25-38(34)43(32)40(28)30)13-6-14-37(42)35-24-20-33-18-16-29-10-5-12-31-22-26-39(35)44(33)41(29)31;1-2-7-27(8-3-1)34-13-6-14-36(35-23-19-32-17-15-28-9-4-11-30-20-24-37(35)42(32)40(28)30)44(34)39-26-22-33-18-16-29-10-5-12-31-21-25-38(39)43(33)41(29)31;1-2-6-27(7-3-1)34-20-23-36(35-21-16-32-14-12-28-8-4-10-30-18-24-38(35)43(32)41(28)30)40(26-34)37-22-17-33-15-13-29-9-5-11-31-19-25-39(37)44(33)42(29)31/h3*1-26H
InChIKeyIGXOEYUQSLUXRN-UHFFFAOYSA-N
XLogP37.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms132
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001664.08
LogP ≤ 537.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-phenyl-3-pyren-1-ylphenyl)phenyl]pyrene
CID 169303152
1-[2-phenyl-4-(3-pyren-1-ylnaphthalen-2-yl)phenyl]pyrene
CID 169303240
1-[2-(4-pyren-1-ylphenyl)phenyl]pyrene;1-[3-(3-pyren-1-ylphenyl)phenyl]pyrene;1-[3-(4-pyren-1-ylphenyl)phenyl]pyrene
CID 161348592
1-(2-phenyl-5-pyren-1-ylphenyl)pyrene
CID 156656853
1-[2-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]pyrene
CID 164706329
1-[4-(4-phenylphenyl)naphthalen-1-yl]pyrene
CID 156656874
1-[4-naphthalen-1-yl-3-(3-phenyl-4-pyren-1-ylphenyl)phenyl]pyrene
CID 169303234
1-[3-[3-phenyl-5-(3-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-[4-[3-phenyl-5-(4-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-[3-[4-(3-pyren-1-ylphenyl)phenyl]phenyl]pyrene
CID 167610604
1-[5-phenyl-2-(4-pyren-1-ylnaphthalen-2-yl)phenyl]pyrene
CID 169303011
9-(3-phenanthren-9-ylphenyl)-10-(3-phenylphenyl)anthracene;9-(4-phenanthren-9-ylphenyl)-10-(3-phenylphenyl)anthracene;1-[2-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]pyrene
CID 165031655
1-[2,4,6-triphenyl-3,5-di(pyren-1-yl)phenyl]pyrene
CID 20596756
9-[4-[3,5-bis[4-(10-phenylanthracen-9-yl)phenyl]phenyl]phenyl]-10-phenylanthracene;1-[4-[3,5-bis(4-pyren-1-ylphenyl)phenyl]phenyl]pyrene
CID 159677648

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenyl-3-pyren-1-ylphenyl)pyrene;1-(2-phenyl-6-pyren-1-ylphenyl)pyrene;1-(4-phenyl-2-pyren-1-ylphenyl)pyrene?
The IUPAC name of 1-(2-phenyl-3-pyren-1-ylphenyl)pyrene;1-(2-phenyl-6-pyren-1-ylphenyl)pyrene;1-(4-phenyl-2-pyren-1-ylphenyl)pyrene (CID 158695743) is 1-(2-phenyl-3-pyren-1-ylphenyl)pyrene;1-(2-phenyl-6-pyren-1-ylphenyl)pyrene;1-(4-phenyl-2-pyren-1-ylphenyl)pyrene.
What is the SMILES notation for 1-(2-phenyl-3-pyren-1-ylphenyl)pyrene;1-(2-phenyl-6-pyren-1-ylphenyl)pyrene;1-(4-phenyl-2-pyren-1-ylphenyl)pyrene?
The canonical SMILES for 1-(2-phenyl-3-pyren-1-ylphenyl)pyrene;1-(2-phenyl-6-pyren-1-ylphenyl)pyrene;1-(4-phenyl-2-pyren-1-ylphenyl)pyrene is c1ccc(-c2c(-c3ccc4ccc5cccc6ccc3c4c56)cccc2-c2ccc3ccc4cccc5ccc2c3c45)cc1.c1ccc(-c2ccc(-c3ccc4ccc5cccc6ccc3c4c56)c(-c3ccc4ccc5cccc6ccc3c4c56)c2)cc1.c1ccc(-c2cccc(-c3ccc4ccc5cccc6ccc3c4c56)c2-c2ccc3ccc4cccc5ccc2c3c45)cc1.
What is the InChIKey of 1-(2-phenyl-3-pyren-1-ylphenyl)pyrene;1-(2-phenyl-6-pyren-1-ylphenyl)pyrene;1-(4-phenyl-2-pyren-1-ylphenyl)pyrene?
The InChIKey is IGXOEYUQSLUXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/3C44H26/c1-2-7-27(8-3-1)42-36(34-23-19-32-17-15-28-9-4-11-30-21-25-38(34)43(32)40(28)30)13-6-14-37(42)35-24-20-33-18-16-29-10-5-12-31-22-26-39(35)44(33)41(29)31;1-2-7-27(8-3-1)34-13-6-14-36(35-23-19-32-17-15-28-9-4-11-30-20-24-37(35)42(32)40(28)30)44(34)39-26-22-33-18-16-29-10-5-12-31-21-25-38(39)43(33)41(29)31;1-2-6-27(7-3-1)34-20-23-36(35-21-16-32-14-12-28-8-4-10-30-18-24-38(35)43(32)41(28)30)40(26-34)37-22-17-33-15-13-29-9-5-11-31-19-25-39(37)44(33)42(29)31/h3*1-26H.
What are the key properties of 1-(2-phenyl-3-pyren-1-ylphenyl)pyrene;1-(2-phenyl-6-pyren-1-ylphenyl)pyrene;1-(4-phenyl-2-pyren-1-ylphenyl)pyrene?
1-(2-phenyl-3-pyren-1-ylphenyl)pyrene;1-(2-phenyl-6-pyren-1-ylphenyl)pyrene;1-(4-phenyl-2-pyren-1-ylphenyl)pyrene has a molecular weight of 1664.08 g/mol, XLogP of 37.45, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenyl-3-pyren-1-ylphenyl)pyrene;1-(2-phenyl-6-pyren-1-ylphenyl)pyrene;1-(4-phenyl-2-pyren-1-ylphenyl)pyrene is sourced from PubChem (CID 158695743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).