1-[3-[4-[3-(8a,10c-dihydropyren-1-yl)phenyl]phenyl]phenyl]pyrene;1-[3-[4-[3-(6-naphthalen-1-yl-8a,10c-dihydropyren-1-yl)phenyl]phenyl]phenyl]pyrene;1-[3-[4-[3-(6-phenyl-8a,10c-dihydropyren-1-yl)phenyl]phenyl]phenyl]pyrene;1-phenyl-6-[3-[4-[3-(6-phenyl-8a,10c-dihydropyren-1-yl)phenyl]phenyl]phenyl]pyrene

C228H146 — CID 167626883

IUPAC1-[3-[4-[3-(8a,10c-dihydropyren-1-yl)phenyl]phenyl]phenyl]pyrene;1-[3-[4-[3-(6-naphthalen-1-yl-8a,10c-dihydropyren-1-yl)phenyl]phenyl]phenyl]pyrene;1-[3-[4-[3-(6-phenyl-8a,10c-dihydropyren-1-yl)phenyl]phenyl]phenyl]pyrene;1-phenyl-6-[3-[4-[3-(6-phenyl-8a,10c-dihydropyren-1-yl)phenyl]phenyl]phenyl]pyrene
SMILESC1=CC2C=Cc3c(-c4cccc(-c5ccc(-c6cccc(-c7ccc8ccc9c(-c%10ccccc%10)ccc%10ccc7c8c%109)c6)cc5)c4)ccc4c3C2C(=C1c1ccccc1)C=C4.C1=CC2C=Cc3c(-c4cccc(-c5ccc(-c6cccc(-c7ccc8ccc9cccc%10ccc7c8c9%10)c6)cc5)c4)ccc4c3C2C(=C1)C=C4.C1=CC2C=Cc3c(-c4cccc(-c5ccc(-c6cccc(-c7ccc8ccc9cccc%10ccc7c8c9%10)c6)cc5)c4)ccc4c3C2C(=C1c1cccc2ccccc12)C=C4.C1=CC2C=Cc3c(-c4cccc(-c5ccc(-c6cccc(-c7ccc8ccc9cccc%10ccc7c8c9%10)c6)cc5)c4)ccc4c3C2C(=C1c1ccccc1)C=C4
InChIInChI=1S/C62H40.C60H38.C56H36.C50H32/c1-3-9-41(10-4-1)51-29-21-43-27-35-57-53(31-23-45-25-33-55(51)59(43)61(45)57)49-15-7-13-47(37-49)39-17-19-40(20-18-39)48-14-8-16-50(38-48)54-32-24-46-26-34-56-52(42-11-5-2-6-12-42)30-22-44-28-36-58(54)62(46)60(44)56;1-2-15-49-39(7-1)8-6-16-52(49)53-31-25-44-27-33-55-51(30-24-43-28-34-56(53)60(44)59(43)55)48-14-5-12-46(36-48)38-19-17-37(18-20-38)45-11-4-13-47(35-45)50-29-23-42-22-21-40-9-3-10-41-26-32-54(50)58(42)57(40)41;1-2-7-37(8-3-1)47-27-21-41-26-32-52-49(29-23-42-25-31-50(47)55(41)56(42)52)46-14-6-12-44(34-46)36-17-15-35(16-18-36)43-11-5-13-45(33-43)48-28-22-40-20-19-38-9-4-10-39-24-30-51(48)54(40)53(38)39;1-5-33-17-19-37-21-25-43(45-27-23-35(7-1)47(33)49(37)45)41-11-3-9-39(29-41)31-13-15-32(16-14-31)40-10-4-12-42(30-40)44-26-22-38-20-18-34-6-2-8-36-24-28-46(44)50(38)48(34)36/h1-38,43,59H;1-36,44,60H;1-34,41,55H;1-30,35,47H
InChIKeyNFPOESSEFNNYQT-UHFFFAOYSA-N
MW2885.68 g/mol
LogP61.41
Rot. Bonds20

About 1-[3-[4-[3-(8a,10c-dihydropyren-1-yl)phenyl]phenyl]phenyl]pyrene;1-[3-[4-[3-(6-naphthalen-1-yl-8a,10c-dihydropyren-1-yl)phenyl]phenyl]phenyl]pyrene;1-[3-[4-[3-(6-phenyl-8a,10c-dihydropyren-1-yl)phenyl]phenyl]phenyl]pyrene;1-phenyl-6-[3-[4-[3-(6-phenyl-8a,10c-dihydropyren-1-yl)phenyl]phenyl]phenyl]pyrene

1-[3-[4-[3-(8a,10c-dihydropyren-1-yl)phenyl]phenyl]phenyl]pyrene;1-[3-[4-[3-(6-naphthalen-1-yl-8a,10c-dihydropyren-1-yl)phenyl]phenyl]phenyl]pyrene;1-[3-[4-[3-(6-phenyl-8a,10c-dihydropyren-1-yl)phenyl]phenyl]phenyl]pyrene;1-phenyl-6-[3-[4-[3-(6-phenyl-8a,10c-dihydropyren-1-yl)phenyl]phenyl]phenyl]pyrene (PubChem CID 167626883) has the molecular formula C228H146 and a molecular weight of 2885.68 g/mol. Its IUPAC name is 1-[3-[4-[3-(8a,10c-dihydropyren-1-yl)phenyl]phenyl]phenyl]pyrene;1-[3-[4-[3-(6-naphthalen-1-yl-8a,10c-dihydropyren-1-yl)phenyl]phenyl]phenyl]pyrene;1-[3-[4-[3-(6-phenyl-8a,10c-dihydropyren-1-yl)phenyl]phenyl]phenyl]pyrene;1-phenyl-6-[3-[4-[3-(6-phenyl-8a,10c-dihydropyren-1-yl)phenyl]phenyl]phenyl]pyrene.

Molecular Properties

Compound Name1-[3-[4-[3-(8a,10c-dihydropyren-1-yl)phenyl]phenyl]phenyl]pyrene;1-[3-[4-[3-(6-naphthalen-1-yl-8a,10c-dihydropyren-1-yl)phenyl]phenyl]phenyl]pyrene;1-[3-[4-[3-(6-phenyl-8a,10c-dihydropyren-1-yl)phenyl]phenyl]phenyl]pyrene;1-phenyl-6-[3-[4-[3-(6-phenyl-8a,10c-dihydropyren-1-yl)phenyl]phenyl]phenyl]pyrene
PubChem CID167626883
Molecular FormulaC228H146
Molecular Weight2885.68 g/mol
Exact Mass2883.14
IUPAC Name1-[3-[4-[3-(8a,10c-dihydropyren-1-yl)phenyl]phenyl]phenyl]pyrene;1-[3-[4-[3-(6-naphthalen-1-yl-8a,10c-dihydropyren-1-yl)phenyl]phenyl]phenyl]pyrene;1-[3-[4-[3-(6-phenyl-8a,10c-dihydropyren-1-yl)phenyl]phenyl]phenyl]pyrene;1-phenyl-6-[3-[4-[3-(6-phenyl-8a,10c-dihydropyren-1-yl)phenyl]phenyl]phenyl]pyrene
SMILESC1=CC2C=Cc3c(-c4cccc(-c5ccc(-c6cccc(-c7ccc8ccc9c(-c%10ccccc%10)ccc%10ccc7c8c%109)c6)cc5)c4)ccc4c3C2C(=C1c1ccccc1)C=C4.C1=CC2C=Cc3c(-c4cccc(-c5ccc(-c6cccc(-c7ccc8ccc9cccc%10ccc7c8c9%10)c6)cc5)c4)ccc4c3C2C(=C1)C=C4.C1=CC2C=Cc3c(-c4cccc(-c5ccc(-c6cccc(-c7ccc8ccc9cccc%10ccc7c8c9%10)c6)cc5)c4)ccc4c3C2C(=C1c1cccc2ccccc12)C=C4.C1=CC2C=Cc3c(-c4cccc(-c5ccc(-c6cccc(-c7ccc8ccc9cccc%10ccc7c8c9%10)c6)cc5)c4)ccc4c3C2C(=C1c1ccccc1)C=C4
InChIInChI=1S/C62H40.C60H38.C56H36.C50H32/c1-3-9-41(10-4-1)51-29-21-43-27-35-57-53(31-23-45-25-33-55(51)59(43)61(45)57)49-15-7-13-47(37-49)39-17-19-40(20-18-39)48-14-8-16-50(38-48)54-32-24-46-26-34-56-52(42-11-5-2-6-12-42)30-22-44-28-36-58(54)62(46)60(44)56;1-2-15-49-39(7-1)8-6-16-52(49)53-31-25-44-27-33-55-51(30-24-43-28-34-56(53)60(44)59(43)55)48-14-5-12-46(36-48)38-19-17-37(18-20-38)45-11-4-13-47(35-45)50-29-23-42-22-21-40-9-3-10-41-26-32-54(50)58(42)57(40)41;1-2-7-37(8-3-1)47-27-21-41-26-32-52-49(29-23-42-25-31-50(47)55(41)56(42)52)46-14-6-12-44(34-46)36-17-15-35(16-18-36)43-11-5-13-45(33-43)48-28-22-40-20-19-38-9-4-10-39-24-30-51(48)54(40)53(38)39;1-5-33-17-19-37-21-25-43(45-27-23-35(7-1)47(33)49(37)45)41-11-3-9-39(29-41)31-13-15-32(16-14-31)40-10-4-12-42(30-40)44-26-22-38-20-18-34-6-2-8-36-24-28-46(44)50(38)48(34)36/h1-38,43,59H;1-36,44,60H;1-34,41,55H;1-30,35,47H
InChIKeyNFPOESSEFNNYQT-UHFFFAOYSA-N
XLogP61.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds20
Heavy Atoms228
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002885.68
LogP ≤ 561.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-[3-[4-[3-(8a,10c-dihydropyren-1-yl)phenyl]phenyl]phenyl]pyrene;1-[3-[4-[3-(6-naphthalen-1-yl-8a,10c-dihydropyren-1-yl)phenyl]phenyl]phenyl]pyrene;1-[3-[4-[3-(6-phenyl-8a,10c-dihydropyren-1-yl)phenyl]phenyl]phenyl]pyrene;1-phenyl-6-[3-[4-[3-(6-phenyl-8a,10c-dihydropyren-1-yl)phenyl]phenyl]phenyl]pyrene with MolForge

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Related Compounds

3-(8a,10c-dihydropyren-1-yl)-9-phenyl-6-pyren-1-ylcarbazole
CID 58645120
5-(8a,10c-dihydropyren-1-yl)-2-[(4-phenylphenyl)-(5-pyren-1-ylpyrimidin-2-yl)phosphoryl]pyrimidine
CID 131994018
1-(3-naphthalen-2-ylphenyl)-6-[3-[3-[3-(6-phenylpyren-1-yl)phenyl]phenyl]phenyl]pyrene;1-(3-naphthalen-2-ylphenyl)-6-[3-[3-(3-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-(4-naphthalen-1-ylphenyl)-6-[4-[3-(4-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-[3-[2-[2-(3-pyren-1-ylphenyl)phenyl]phenyl]phenyl]pyrene;1-[4-[2-[2-(4-pyren-1-ylphenyl)phenyl]phenyl]phenyl]pyrene;1-[3-[3-(3-pyren-1-ylphenyl)phenyl]phenyl]pyrene
CID 159994110
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-[4-naphthalen-1-yl-3-(3-phenyl-4-pyren-1-ylphenyl)phenyl]pyrene
CID 169303234
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
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
1-[4-(4-phenylphenyl)naphthalen-1-yl]pyrene
CID 156656874
9-[3-(3,5-diphenylphenyl)phenyl]-10-naphthalen-1-ylanthracene;1-[3,5-di(pyren-1-yl)phenyl]pyrene;9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene;9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 165107322
2-(3-naphthalen-1-ylphenyl)-4-(5-phenylnaphthalen-2-yl)-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 166022163
3-naphthalen-1-yl-7-pyren-1-yldibenzothiophene;3-naphthalen-2-yl-7-pyren-1-yldibenzothiophene;3-(2-phenylphenyl)-7-pyren-1-yldibenzothiophene;3-phenyl-7-(6-phenylpyren-1-yl)dibenzothiophene;3-phenyl-7-[4-(6-phenylpyren-1-yl)phenyl]dibenzothiophene;3-phenyl-7-(4-pyren-1-ylphenyl)dibenzothiophene
CID 158302671
6-[2-(6-pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-2,4,6,8,11,13(18),14,16-octaenyl)phenyl]pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaene
CID 59845257

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[3-(8a,10c-dihydropyren-1-yl)phenyl]phenyl]phenyl]pyrene;1-[3-[4-[3-(6-naphthalen-1-yl-8a,10c-dihydropyren-1-yl)phenyl]phenyl]phenyl]pyrene;1-[3-[4-[3-(6-phenyl-8a,10c-dihydropyren-1-yl)phenyl]phenyl]phenyl]pyrene;1-phenyl-6-[3-[4-[3-(6-phenyl-8a,10c-dihydropyren-1-yl)phenyl]phenyl]phenyl]pyrene?
The IUPAC name of 1-[3-[4-[3-(8a,10c-dihydropyren-1-yl)phenyl]phenyl]phenyl]pyrene;1-[3-[4-[3-(6-naphthalen-1-yl-8a,10c-dihydropyren-1-yl)phenyl]phenyl]phenyl]pyrene;1-[3-[4-[3-(6-phenyl-8a,10c-dihydropyren-1-yl)phenyl]phenyl]phenyl]pyrene;1-phenyl-6-[3-[4-[3-(6-phenyl-8a,10c-dihydropyren-1-yl)phenyl]phenyl]phenyl]pyrene (CID 167626883) is 1-[3-[4-[3-(8a,10c-dihydropyren-1-yl)phenyl]phenyl]phenyl]pyrene;1-[3-[4-[3-(6-naphthalen-1-yl-8a,10c-dihydropyren-1-yl)phenyl]phenyl]phenyl]pyrene;1-[3-[4-[3-(6-phenyl-8a,10c-dihydropyren-1-yl)phenyl]phenyl]phenyl]pyrene;1-phenyl-6-[3-[4-[3-(6-phenyl-8a,10c-dihydropyren-1-yl)phenyl]phenyl]phenyl]pyrene.
What is the SMILES notation for 1-[3-[4-[3-(8a,10c-dihydropyren-1-yl)phenyl]phenyl]phenyl]pyrene;1-[3-[4-[3-(6-naphthalen-1-yl-8a,10c-dihydropyren-1-yl)phenyl]phenyl]phenyl]pyrene;1-[3-[4-[3-(6-phenyl-8a,10c-dihydropyren-1-yl)phenyl]phenyl]phenyl]pyrene;1-phenyl-6-[3-[4-[3-(6-phenyl-8a,10c-dihydropyren-1-yl)phenyl]phenyl]phenyl]pyrene?
The canonical SMILES for 1-[3-[4-[3-(8a,10c-dihydropyren-1-yl)phenyl]phenyl]phenyl]pyrene;1-[3-[4-[3-(6-naphthalen-1-yl-8a,10c-dihydropyren-1-yl)phenyl]phenyl]phenyl]pyrene;1-[3-[4-[3-(6-phenyl-8a,10c-dihydropyren-1-yl)phenyl]phenyl]phenyl]pyrene;1-phenyl-6-[3-[4-[3-(6-phenyl-8a,10c-dihydropyren-1-yl)phenyl]phenyl]phenyl]pyrene is C1=CC2C=Cc3c(-c4cccc(-c5ccc(-c6cccc(-c7ccc8ccc9c(-c%10ccccc%10)ccc%10ccc7c8c%109)c6)cc5)c4)ccc4c3C2C(=C1c1ccccc1)C=C4.C1=CC2C=Cc3c(-c4cccc(-c5ccc(-c6cccc(-c7ccc8ccc9cccc%10ccc7c8c9%10)c6)cc5)c4)ccc4c3C2C(=C1)C=C4.C1=CC2C=Cc3c(-c4cccc(-c5ccc(-c6cccc(-c7ccc8ccc9cccc%10ccc7c8c9%10)c6)cc5)c4)ccc4c3C2C(=C1c1cccc2ccccc12)C=C4.C1=CC2C=Cc3c(-c4cccc(-c5ccc(-c6cccc(-c7ccc8ccc9cccc%10ccc7c8c9%10)c6)cc5)c4)ccc4c3C2C(=C1c1ccccc1)C=C4.
What is the InChIKey of 1-[3-[4-[3-(8a,10c-dihydropyren-1-yl)phenyl]phenyl]phenyl]pyrene;1-[3-[4-[3-(6-naphthalen-1-yl-8a,10c-dihydropyren-1-yl)phenyl]phenyl]phenyl]pyrene;1-[3-[4-[3-(6-phenyl-8a,10c-dihydropyren-1-yl)phenyl]phenyl]phenyl]pyrene;1-phenyl-6-[3-[4-[3-(6-phenyl-8a,10c-dihydropyren-1-yl)phenyl]phenyl]phenyl]pyrene?
The InChIKey is NFPOESSEFNNYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H40.C60H38.C56H36.C50H32/c1-3-9-41(10-4-1)51-29-21-43-27-35-57-53(31-23-45-25-33-55(51)59(43)61(45)57)49-15-7-13-47(37-49)39-17-19-40(20-18-39)48-14-8-16-50(38-48)54-32-24-46-26-34-56-52(42-11-5-2-6-12-42)30-22-44-28-36-58(54)62(46)60(44)56;1-2-15-49-39(7-1)8-6-16-52(49)53-31-25-44-27-33-55-51(30-24-43-28-34-56(53)60(44)59(43)55)48-14-5-12-46(36-48)38-19-17-37(18-20-38)45-11-4-13-47(35-45)50-29-23-42-22-21-40-9-3-10-41-26-32-54(50)58(42)57(40)41;1-2-7-37(8-3-1)47-27-21-41-26-32-52-49(29-23-42-25-31-50(47)55(41)56(42)52)46-14-6-12-44(34-46)36-17-15-35(16-18-36)43-11-5-13-45(33-43)48-28-22-40-20-19-38-9-4-10-39-24-30-51(48)54(40)53(38)39;1-5-33-17-19-37-21-25-43(45-27-23-35(7-1)47(33)49(37)45)41-11-3-9-39(29-41)31-13-15-32(16-14-31)40-10-4-12-42(30-40)44-26-22-38-20-18-34-6-2-8-36-24-28-46(44)50(38)48(34)36/h1-38,43,59H;1-36,44,60H;1-34,41,55H;1-30,35,47H.
What are the key properties of 1-[3-[4-[3-(8a,10c-dihydropyren-1-yl)phenyl]phenyl]phenyl]pyrene;1-[3-[4-[3-(6-naphthalen-1-yl-8a,10c-dihydropyren-1-yl)phenyl]phenyl]phenyl]pyrene;1-[3-[4-[3-(6-phenyl-8a,10c-dihydropyren-1-yl)phenyl]phenyl]phenyl]pyrene;1-phenyl-6-[3-[4-[3-(6-phenyl-8a,10c-dihydropyren-1-yl)phenyl]phenyl]phenyl]pyrene?
1-[3-[4-[3-(8a,10c-dihydropyren-1-yl)phenyl]phenyl]phenyl]pyrene;1-[3-[4-[3-(6-naphthalen-1-yl-8a,10c-dihydropyren-1-yl)phenyl]phenyl]phenyl]pyrene;1-[3-[4-[3-(6-phenyl-8a,10c-dihydropyren-1-yl)phenyl]phenyl]phenyl]pyrene;1-phenyl-6-[3-[4-[3-(6-phenyl-8a,10c-dihydropyren-1-yl)phenyl]phenyl]phenyl]pyrene has a molecular weight of 2885.68 g/mol, XLogP of 61.41, 20 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-[3-(8a,10c-dihydropyren-1-yl)phenyl]phenyl]phenyl]pyrene;1-[3-[4-[3-(6-naphthalen-1-yl-8a,10c-dihydropyren-1-yl)phenyl]phenyl]phenyl]pyrene;1-[3-[4-[3-(6-phenyl-8a,10c-dihydropyren-1-yl)phenyl]phenyl]phenyl]pyrene;1-phenyl-6-[3-[4-[3-(6-phenyl-8a,10c-dihydropyren-1-yl)phenyl]phenyl]phenyl]pyrene is sourced from PubChem (CID 167626883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).