3-(7-tert-butylpyren-2-yl)-9-(9,9-dimethylfluoren-2-yl)chrysene;3-(7-tert-butylpyren-2-yl)-9-naphthalen-2-ylchrysene;3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9-phenylchrysene;3,9-di(pyren-2-yl)chrysene

C200H136 — CID 158172950

About 3-(7-tert-butylpyren-2-yl)-9-(9,9-dimethylfluoren-2-yl)chrysene;3-(7-tert-butylpyren-2-yl)-9-naphthalen-2-ylchrysene;3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9-phenylchrysene;3,9-di(pyren-2-yl)chrysene

3-(7-tert-butylpyren-2-yl)-9-(9,9-dimethylfluoren-2-yl)chrysene;3-(7-tert-butylpyren-2-yl)-9-naphthalen-2-ylchrysene;3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9-phenylchrysene;3,9-di(pyren-2-yl)chrysene (PubChem CID 158172950) has the molecular formula C200H136 and a molecular weight of 2539.29 g/mol. Its IUPAC name is 3-(7-tert-butylpyren-2-yl)-9-(9,9-dimethylfluoren-2-yl)chrysene;3-(7-tert-butylpyren-2-yl)-9-naphthalen-2-ylchrysene;3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9-phenylchrysene;3,9-di(pyren-2-yl)chrysene.

Molecular Properties

• Compound Name: 3-(7-tert-butylpyren-2-yl)-9-(9,9-dimethylfluoren-2-yl)chrysene;3-(7-tert-butylpyren-2-yl)-9-naphthalen-2-ylchrysene;3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9-phenylchrysene;3,9-di(pyren-2-yl)chrysene
• PubChem CID: 158172950
• Molecular Formula: C200H136
• Molecular Weight: 2539.29 g/mol
• Exact Mass: 2537.06
• IUPAC Name: 3-(7-tert-butylpyren-2-yl)-9-(9,9-dimethylfluoren-2-yl)chrysene;3-(7-tert-butylpyren-2-yl)-9-naphthalen-2-ylchrysene;3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9-phenylchrysene;3,9-di(pyren-2-yl)chrysene
• SMILES: CC(C)(C)c1cc2ccc3cc(-c4ccc5ccc6c7cc(-c8ccc9c(c8)C(C)(C)c8ccccc8-9)ccc7ccc6c5c4)cc4ccc(c1)c2c34.CC(C)(C)c1cc2ccc3cc(-c4ccc5ccc6c7cc(-c8ccc9ccccc9c8)ccc7ccc6c5c4)cc4ccc(c1)c2c34.CC1(C)c2ccccc2-c2ccc(-c3ccc4cc(-c5ccc6ccc7c8cc(-c9ccccc9)ccc8ccc7c6c5)ccc4c3)cc21.c1cc2ccc3cc(-c4ccc5ccc6c7cc(-c8cc9ccc%10cccc%11ccc(c8)c9c%10%11)ccc7ccc6c5c4)cc4ccc(c1)c2c34
• InChI: InChI=1S/C53H40.C50H28.C49H34.C48H34/c1-52(2,3)41-26-38-16-14-36-24-40(25-37-15-17-39(27-41)51(38)50(36)37)34-13-11-32-19-21-42-43(47(32)29-34)22-18-31-10-12-33(28-46(31)42)35-20-23-45-44-8-6-7-9-48(44)53(4,5)49(45)30-35;1-3-31-9-15-37-23-41(24-38-16-10-32(4-1)47(31)49(37)38)35-13-7-29-19-22-44-43(45(29)27-35)21-20-30-8-14-36(28-46(30)44)42-25-39-17-11-33-5-2-6-34-12-18-40(26-42)50(39)48(33)34;1-49(2)47-11-7-6-10-43(47)44-25-22-40(30-48(44)49)37-19-17-34-26-36(18-16-35(34)27-37)39-15-13-33-21-23-41-42(46(33)29-39)24-20-32-12-14-38(28-45(32)41)31-8-4-3-5-9-31;1-48(2,3)41-25-38-16-14-36-23-40(24-37-15-17-39(26-41)47(38)46(36)37)35-13-10-31-19-20-42-43(45(31)28-35)21-18-30-9-12-34(27-44(30)42)33-11-8-29-6-4-5-7-32(29)22-33/h6-30H,1-5H3;1-28H;3-30H,1-2H3;4-28H,1-3H3
• InChIKey: FXRHGEHVYIZYPB-UHFFFAOYSA-N
• XLogP: 56.69
• TPSA: 0.00 Ų
• Rotatable Bonds: 9
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2539.29
LogP ≤ 5	56.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(7-tert-butylpyren-2-yl)-9-(9,9-dimethylfluoren-2-yl)chrysene;3-(7-tert-butylpyren-2-yl)-9-naphthalen-2-ylchrysene;3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9-phenylchrysene;3,9-di(pyren-2-yl)chrysene?

The IUPAC name of 3-(7-tert-butylpyren-2-yl)-9-(9,9-dimethylfluoren-2-yl)chrysene;3-(7-tert-butylpyren-2-yl)-9-naphthalen-2-ylchrysene;3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9-phenylchrysene;3,9-di(pyren-2-yl)chrysene (CID 158172950) is 3-(7-tert-butylpyren-2-yl)-9-(9,9-dimethylfluoren-2-yl)chrysene;3-(7-tert-butylpyren-2-yl)-9-naphthalen-2-ylchrysene;3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9-phenylchrysene;3,9-di(pyren-2-yl)chrysene.

What is the SMILES notation for 3-(7-tert-butylpyren-2-yl)-9-(9,9-dimethylfluoren-2-yl)chrysene;3-(7-tert-butylpyren-2-yl)-9-naphthalen-2-ylchrysene;3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9-phenylchrysene;3,9-di(pyren-2-yl)chrysene?

The canonical SMILES for 3-(7-tert-butylpyren-2-yl)-9-(9,9-dimethylfluoren-2-yl)chrysene;3-(7-tert-butylpyren-2-yl)-9-naphthalen-2-ylchrysene;3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9-phenylchrysene;3,9-di(pyren-2-yl)chrysene is CC(C)(C)c1cc2ccc3cc(-c4ccc5ccc6c7cc(-c8ccc9c(c8)C(C)(C)c8ccccc8-9)ccc7ccc6c5c4)cc4ccc(c1)c2c34.CC(C)(C)c1cc2ccc3cc(-c4ccc5ccc6c7cc(-c8ccc9ccccc9c8)ccc7ccc6c5c4)cc4ccc(c1)c2c34.CC1(C)c2ccccc2-c2ccc(-c3ccc4cc(-c5ccc6ccc7c8cc(-c9ccccc9)ccc8ccc7c6c5)ccc4c3)cc21.c1cc2ccc3cc(-c4ccc5ccc6c7cc(-c8cc9ccc%10cccc%11ccc(c8)c9c%10%11)ccc7ccc6c5c4)cc4ccc(c1)c2c34.

What is the InChIKey of 3-(7-tert-butylpyren-2-yl)-9-(9,9-dimethylfluoren-2-yl)chrysene;3-(7-tert-butylpyren-2-yl)-9-naphthalen-2-ylchrysene;3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9-phenylchrysene;3,9-di(pyren-2-yl)chrysene?

The InChIKey is FXRHGEHVYIZYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H40.C50H28.C49H34.C48H34/c1-52(2,3)41-26-38-16-14-36-24-40(25-37-15-17-39(27-41)51(38)50(36)37)34-13-11-32-19-21-42-43(47(32)29-34)22-18-31-10-12-33(28-46(31)42)35-20-23-45-44-8-6-7-9-48(44)53(4,5)49(45)30-35;1-3-31-9-15-37-23-41(24-38-16-10-32(4-1)47(31)49(37)38)35-13-7-29-19-22-44-43(45(29)27-35)21-20-30-8-14-36(28-46(30)44)42-25-39-17-11-33-5-2-6-34-12-18-40(26-42)50(39)48(33)34;1-49(2)47-11-7-6-10-43(47)44-25-22-40(30-48(44)49)37-19-17-34-26-36(18-16-35(34)27-37)39-15-13-33-21-23-41-42(46(33)29-39)24-20-32-12-14-38(28-45(32)41)31-8-4-3-5-9-31;1-48(2,3)41-25-38-16-14-36-23-40(24-37-15-17-39(26-41)47(38)46(36)37)35-13-10-31-19-20-42-43(45(31)28-35)21-18-30-9-12-34(27-44(30)42)33-11-8-29-6-4-5-7-32(29)22-33/h6-30H,1-5H3;1-28H;3-30H,1-2H3;4-28H,1-3H3.

What are the key properties of 3-(7-tert-butylpyren-2-yl)-9-(9,9-dimethylfluoren-2-yl)chrysene;3-(7-tert-butylpyren-2-yl)-9-naphthalen-2-ylchrysene;3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9-phenylchrysene;3,9-di(pyren-2-yl)chrysene?

3-(7-tert-butylpyren-2-yl)-9-(9,9-dimethylfluoren-2-yl)chrysene;3-(7-tert-butylpyren-2-yl)-9-naphthalen-2-ylchrysene;3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9-phenylchrysene;3,9-di(pyren-2-yl)chrysene has a molecular weight of 2539.29 g/mol, XLogP of 56.69, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(7-tert-butylpyren-2-yl)-9-(9,9-dimethylfluoren-2-yl)chrysene;3-(7-tert-butylpyren-2-yl)-9-naphthalen-2-ylchrysene;3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9-phenylchrysene;3,9-di(pyren-2-yl)chrysene is sourced from PubChem (CID 158172950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).