6,12-bis(4-benzo[c]phenanthren-5-ylphenyl)chrysene;6,12-bis(3-naphthalen-1-ylphenyl)chrysene;6,12-bis(4-spiro[cyclopentane-1,9'-fluorene]-2'-ylphenyl)chrysene;6,12-bis(4-triphenylen-2-ylphenyl)chrysene

About 6,12-bis(4-benzo[c]phenanthren-5-ylphenyl)chrysene;6,12-bis(3-naphthalen-1-ylphenyl)chrysene;6,12-bis(4-spiro[cyclopentane-1,9'-fluorene]-2'-ylphenyl)chrysene;6,12-bis(4-triphenylen-2-ylphenyl)chrysene

6,12-bis(4-benzo[c]phenanthren-5-ylphenyl)chrysene;6,12-bis(3-naphthalen-1-ylphenyl)chrysene;6,12-bis(4-spiro[cyclopentane-1,9'-fluorene]-2'-ylphenyl)chrysene;6,12-bis(4-triphenylen-2-ylphenyl)chrysene (PubChem CID 158482253) has the molecular formula C246H160 and a molecular weight of 3115.99 g/mol. Its IUPAC name is 6,12-bis(4-benzo[c]phenanthren-5-ylphenyl)chrysene;6,12-bis(3-naphthalen-1-ylphenyl)chrysene;6,12-bis(4-spiro[cyclopentane-1,9'-fluorene]-2'-ylphenyl)chrysene;6,12-bis(4-triphenylen-2-ylphenyl)chrysene.

Molecular Properties

Compound Name	6,12-bis(4-benzo[c]phenanthren-5-ylphenyl)chrysene;6,12-bis(3-naphthalen-1-ylphenyl)chrysene;6,12-bis(4-spiro[cyclopentane-1,9'-fluorene]-2'-ylphenyl)chrysene;6,12-bis(4-triphenylen-2-ylphenyl)chrysene
PubChem CID	158482253
Molecular Formula	C246H160
Molecular Weight	3115.99 g/mol
Exact Mass	3113.25
IUPAC Name	6,12-bis(4-benzo[c]phenanthren-5-ylphenyl)chrysene;6,12-bis(3-naphthalen-1-ylphenyl)chrysene;6,12-bis(4-spiro[cyclopentane-1,9'-fluorene]-2'-ylphenyl)chrysene;6,12-bis(4-triphenylen-2-ylphenyl)chrysene
SMILES	c1cc(-c2cccc3ccccc23)cc(-c2cc3c4ccccc4c(-c4cccc(-c5cccc6ccccc56)c4)cc3c3ccccc23)c1.c1ccc2c(c1)-c1ccc(-c3ccc(-c4cc5c6ccccc6c(-c6ccc(-c7ccc8c(c7)C7(CCCC7)c7ccccc7-8)cc6)cc5c5ccccc45)cc3)cc1C21CCCC1.c1ccc2c(c1)c(-c1ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc1)cc1c3ccccc3c(-c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)cc21.c1ccc2c(c1)ccc1cc(-c3ccc(-c4cc5c6ccccc6c(-c6ccc(-c7cc8ccc9ccccc9c8c8ccccc78)cc6)cc5c5ccccc45)cc3)c3ccccc3c12
InChI	InChI=1S/2C66H40.C64H48.C50H32/c1-3-17-51-47(13-1)49-15-5-9-21-55(49)63-37-45(33-35-59(51)63)41-25-29-43(30-26-41)61-39-65-58-24-12-8-20-54(58)62(40-66(65)57-23-11-7-19-53(57)61)44-31-27-42(28-32-44)46-34-36-60-52-18-4-2-14-48(52)50-16-6-10-22-56(50)64(60)38-46;1-3-15-49-41(13-1)33-35-47-37-59(55-21-9-11-23-57(55)65(47)49)43-25-29-45(30-26-43)61-39-63-54-20-8-6-18-52(54)62(40-64(63)53-19-7-5-17-51(53)61)46-31-27-44(28-32-46)60-38-48-36-34-42-14-2-4-16-50(42)66(48)58-24-12-10-22-56(58)60;1-3-15-49-47(13-1)55(43-25-21-41(22-26-43)45-29-31-53-51-17-5-7-19-59(51)63(61(53)37-45)33-9-10-34-63)39-58-50-16-4-2-14-48(50)56(40-57(49)58)44-27-23-42(24-28-44)46-30-32-54-52-18-6-8-20-60(52)64(62(54)38-46)35-11-12-36-64;1-3-21-39-33(13-1)15-11-27-41(39)35-17-9-19-37(29-35)47-31-49-46-26-8-6-24-44(46)48(32-50(49)45-25-7-5-23-43(45)47)38-20-10-18-36(30-38)42-28-12-16-34-14-2-4-22-40(34)42/h2*1-40H;1-8,13-32,37-40H,9-12,33-36H2;1-32H
InChIKey	HHQVBFKUZTYPHG-UHFFFAOYSA-N
XLogP	69.08
TPSA	0.00 Å²
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds	16
Heavy Atoms	246
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3115.99
LogP ≤ 5	69.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 6,12-bis(4-benzo[c]phenanthren-5-ylphenyl)chrysene;6,12-bis(3-naphthalen-1-ylphenyl)chrysene;6,12-bis(4-spiro[cyclopentane-1,9'-fluorene]-2'-ylphenyl)chrysene;6,12-bis(4-triphenylen-2-ylphenyl)chrysene?

The IUPAC name of 6,12-bis(4-benzo[c]phenanthren-5-ylphenyl)chrysene;6,12-bis(3-naphthalen-1-ylphenyl)chrysene;6,12-bis(4-spiro[cyclopentane-1,9'-fluorene]-2'-ylphenyl)chrysene;6,12-bis(4-triphenylen-2-ylphenyl)chrysene (CID 158482253) is 6,12-bis(4-benzo[c]phenanthren-5-ylphenyl)chrysene;6,12-bis(3-naphthalen-1-ylphenyl)chrysene;6,12-bis(4-spiro[cyclopentane-1,9'-fluorene]-2'-ylphenyl)chrysene;6,12-bis(4-triphenylen-2-ylphenyl)chrysene.

What is the SMILES notation for 6,12-bis(4-benzo[c]phenanthren-5-ylphenyl)chrysene;6,12-bis(3-naphthalen-1-ylphenyl)chrysene;6,12-bis(4-spiro[cyclopentane-1,9'-fluorene]-2'-ylphenyl)chrysene;6,12-bis(4-triphenylen-2-ylphenyl)chrysene?

The canonical SMILES for 6,12-bis(4-benzo[c]phenanthren-5-ylphenyl)chrysene;6,12-bis(3-naphthalen-1-ylphenyl)chrysene;6,12-bis(4-spiro[cyclopentane-1,9'-fluorene]-2'-ylphenyl)chrysene;6,12-bis(4-triphenylen-2-ylphenyl)chrysene is c1cc(-c2cccc3ccccc23)cc(-c2cc3c4ccccc4c(-c4cccc(-c5cccc6ccccc56)c4)cc3c3ccccc23)c1.c1ccc2c(c1)-c1ccc(-c3ccc(-c4cc5c6ccccc6c(-c6ccc(-c7ccc8c(c7)C7(CCCC7)c7ccccc7-8)cc6)cc5c5ccccc45)cc3)cc1C21CCCC1.c1ccc2c(c1)c(-c1ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc1)cc1c3ccccc3c(-c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)cc21.c1ccc2c(c1)ccc1cc(-c3ccc(-c4cc5c6ccccc6c(-c6ccc(-c7cc8ccc9ccccc9c8c8ccccc78)cc6)cc5c5ccccc45)cc3)c3ccccc3c12.

What is the InChIKey of 6,12-bis(4-benzo[c]phenanthren-5-ylphenyl)chrysene;6,12-bis(3-naphthalen-1-ylphenyl)chrysene;6,12-bis(4-spiro[cyclopentane-1,9'-fluorene]-2'-ylphenyl)chrysene;6,12-bis(4-triphenylen-2-ylphenyl)chrysene?

The InChIKey is HHQVBFKUZTYPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C66H40.C64H48.C50H32/c1-3-17-51-47(13-1)49-15-5-9-21-55(49)63-37-45(33-35-59(51)63)41-25-29-43(30-26-41)61-39-65-58-24-12-8-20-54(58)62(40-66(65)57-23-11-7-19-53(57)61)44-31-27-42(28-32-44)46-34-36-60-52-18-4-2-14-48(52)50-16-6-10-22-56(50)64(60)38-46;1-3-15-49-41(13-1)33-35-47-37-59(55-21-9-11-23-57(55)65(47)49)43-25-29-45(30-26-43)61-39-63-54-20-8-6-18-52(54)62(40-64(63)53-19-7-5-17-51(53)61)46-31-27-44(28-32-46)60-38-48-36-34-42-14-2-4-16-50(42)66(48)58-24-12-10-22-56(58)60;1-3-15-49-47(13-1)55(43-25-21-41(22-26-43)45-29-31-53-51-17-5-7-19-59(51)63(61(53)37-45)33-9-10-34-63)39-58-50-16-4-2-14-48(50)56(40-57(49)58)44-27-23-42(24-28-44)46-30-32-54-52-18-6-8-20-60(52)64(62(54)38-46)35-11-12-36-64;1-3-21-39-33(13-1)15-11-27-41(39)35-17-9-19-37(29-35)47-31-49-46-26-8-6-24-44(46)48(32-50(49)45-25-7-5-23-43(45)47)38-20-10-18-36(30-38)42-28-12-16-34-14-2-4-22-40(34)42/h2*1-40H;1-8,13-32,37-40H,9-12,33-36H2;1-32H.

What are the key properties of 6,12-bis(4-benzo[c]phenanthren-5-ylphenyl)chrysene;6,12-bis(3-naphthalen-1-ylphenyl)chrysene;6,12-bis(4-spiro[cyclopentane-1,9'-fluorene]-2'-ylphenyl)chrysene;6,12-bis(4-triphenylen-2-ylphenyl)chrysene?

6,12-bis(4-benzo[c]phenanthren-5-ylphenyl)chrysene;6,12-bis(3-naphthalen-1-ylphenyl)chrysene;6,12-bis(4-spiro[cyclopentane-1,9'-fluorene]-2'-ylphenyl)chrysene;6,12-bis(4-triphenylen-2-ylphenyl)chrysene has a molecular weight of 3115.99 g/mol, XLogP of 69.08, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 6,12-bis(4-benzo[c]phenanthren-5-ylphenyl)chrysene;6,12-bis(3-naphthalen-1-ylphenyl)chrysene;6,12-bis(4-spiro[cyclopentane-1,9'-fluorene]-2'-ylphenyl)chrysene;6,12-bis(4-triphenylen-2-ylphenyl)chrysene is sourced from PubChem (CID 158482253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).