7,7-dimethyl-5-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]benzo[c]fluorene;9,9-dimethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]fluorene;10-naphthalen-2-yl-21-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene;21-[3-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene

C186H124 — CID 157412657

About 7,7-dimethyl-5-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]benzo[c]fluorene;9,9-dimethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]fluorene;10-naphthalen-2-yl-21-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene;21-[3-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene

7,7-dimethyl-5-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]benzo[c]fluorene;9,9-dimethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]fluorene;10-naphthalen-2-yl-21-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene;21-[3-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene (PubChem CID 157412657) has the molecular formula C186H124 and a molecular weight of 2359.04 g/mol. Its IUPAC name is 7,7-dimethyl-5-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]benzo[c]fluorene;9,9-dimethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]fluorene;10-naphthalen-2-yl-21-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene;21-[3-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene.

Molecular Properties

• Compound Name: 7,7-dimethyl-5-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]benzo[c]fluorene;9,9-dimethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]fluorene;10-naphthalen-2-yl-21-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene;21-[3-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
• PubChem CID: 157412657
• Molecular Formula: C186H124
• Molecular Weight: 2359.04 g/mol
• Exact Mass: 2356.97
• IUPAC Name: 7,7-dimethyl-5-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]benzo[c]fluorene;9,9-dimethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]fluorene;10-naphthalen-2-yl-21-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene;21-[3-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
• SMILES: CC1(C)c2ccccc2-c2c1cc(-c1cccc(-c3ccc4cc(-c5ccc6ccccc6c5)ccc4c3)c1)c1ccccc21.CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4ccc5cc(-c6ccc7ccccc7c6)ccc5c4)c3)cc21.c1ccc(-c2ccc3ccc(-c4cc(-c5cc6c7ccccc7c7ccccc7c6c6ccccc56)c5ccccc5c4)cc3c2)cc1.c1ccc2cc(-c3ccc4cc(-c5cc6c7ccccc7c7cc(-c8ccc9ccccc9c8)ccc7c6c6ccccc56)ccc4c3)ccc2c1
• InChI: InChI=1S/C52H32.C48H30.C45H32.C41H30/c1-3-11-35-27-37(19-17-33(35)9-1)38-21-22-41-30-43(24-23-39(41)29-38)49-32-51-45-14-6-5-13-44(45)50-31-42(40-20-18-34-10-2-4-12-36(34)28-40)25-26-48(50)52(51)47-16-8-7-15-46(47)49;1-2-12-31(13-3-1)33-24-22-32-23-25-34(27-36(32)26-33)37-28-35-14-4-5-15-38(35)45(29-37)46-30-47-41-18-7-6-16-39(41)40-17-8-10-20-43(40)48(47)44-21-11-9-19-42(44)46;1-45(2)42-17-8-7-16-40(42)44-39-15-6-5-14-38(39)41(28-43(44)45)37-13-9-12-31(27-37)32-20-21-36-26-35(23-22-34(36)25-32)33-19-18-29-10-3-4-11-30(29)24-33;1-41(2)39-13-6-5-12-37(39)38-21-20-36(26-40(38)41)30-11-7-10-29(23-30)31-16-17-35-25-34(19-18-33(35)24-31)32-15-14-27-8-3-4-9-28(27)22-32/h1-32H;1-30H;3-28H,1-2H3;3-26H,1-2H3
• InChIKey: BOLSWFVMECIENN-UHFFFAOYSA-N
• XLogP: 52.12
• TPSA: 0.00 Ų
• Rotatable Bonds: 12
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2359.04
LogP ≤ 5	52.12
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 7,7-dimethyl-5-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]benzo[c]fluorene;9,9-dimethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]fluorene;10-naphthalen-2-yl-21-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene;21-[3-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene?

The IUPAC name of 7,7-dimethyl-5-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]benzo[c]fluorene;9,9-dimethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]fluorene;10-naphthalen-2-yl-21-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene;21-[3-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene (CID 157412657) is 7,7-dimethyl-5-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]benzo[c]fluorene;9,9-dimethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]fluorene;10-naphthalen-2-yl-21-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene;21-[3-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene.

What is the SMILES notation for 7,7-dimethyl-5-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]benzo[c]fluorene;9,9-dimethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]fluorene;10-naphthalen-2-yl-21-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene;21-[3-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene?

The canonical SMILES for 7,7-dimethyl-5-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]benzo[c]fluorene;9,9-dimethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]fluorene;10-naphthalen-2-yl-21-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene;21-[3-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene is CC1(C)c2ccccc2-c2c1cc(-c1cccc(-c3ccc4cc(-c5ccc6ccccc6c5)ccc4c3)c1)c1ccccc21.CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4ccc5cc(-c6ccc7ccccc7c6)ccc5c4)c3)cc21.c1ccc(-c2ccc3ccc(-c4cc(-c5cc6c7ccccc7c7ccccc7c6c6ccccc56)c5ccccc5c4)cc3c2)cc1.c1ccc2cc(-c3ccc4cc(-c5cc6c7ccccc7c7cc(-c8ccc9ccccc9c8)ccc7c6c6ccccc56)ccc4c3)ccc2c1.

What is the InChIKey of 7,7-dimethyl-5-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]benzo[c]fluorene;9,9-dimethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]fluorene;10-naphthalen-2-yl-21-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene;21-[3-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene?

The InChIKey is BOLSWFVMECIENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32.C48H30.C45H32.C41H30/c1-3-11-35-27-37(19-17-33(35)9-1)38-21-22-41-30-43(24-23-39(41)29-38)49-32-51-45-14-6-5-13-44(45)50-31-42(40-20-18-34-10-2-4-12-36(34)28-40)25-26-48(50)52(51)47-16-8-7-15-46(47)49;1-2-12-31(13-3-1)33-24-22-32-23-25-34(27-36(32)26-33)37-28-35-14-4-5-15-38(35)45(29-37)46-30-47-41-18-7-6-16-39(41)40-17-8-10-20-43(40)48(47)44-21-11-9-19-42(44)46;1-45(2)42-17-8-7-16-40(42)44-39-15-6-5-14-38(39)41(28-43(44)45)37-13-9-12-31(27-37)32-20-21-36-26-35(23-22-34(36)25-32)33-19-18-29-10-3-4-11-30(29)24-33;1-41(2)39-13-6-5-12-37(39)38-21-20-36(26-40(38)41)30-11-7-10-29(23-30)31-16-17-35-25-34(19-18-33(35)24-31)32-15-14-27-8-3-4-9-28(27)22-32/h1-32H;1-30H;3-28H,1-2H3;3-26H,1-2H3.

What are the key properties of 7,7-dimethyl-5-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]benzo[c]fluorene;9,9-dimethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]fluorene;10-naphthalen-2-yl-21-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene;21-[3-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene?

7,7-dimethyl-5-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]benzo[c]fluorene;9,9-dimethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]fluorene;10-naphthalen-2-yl-21-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene;21-[3-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene has a molecular weight of 2359.04 g/mol, XLogP of 52.12, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 7,7-dimethyl-5-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]benzo[c]fluorene;9,9-dimethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]fluorene;10-naphthalen-2-yl-21-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene;21-[3-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene is sourced from PubChem (CID 157412657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).