5-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)benzo[c]phenanthrene;21-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-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;5-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)picene;21-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-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

C188H128 — CID 159940441

About 5-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)benzo[c]phenanthrene;21-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-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;5-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)picene;21-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-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

5-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)benzo[c]phenanthrene;21-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-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;5-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)picene;21-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-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 159940441) has the molecular formula C188H128 and a molecular weight of 2387.09 g/mol. Its IUPAC name is 5-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)benzo[c]phenanthrene;21-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-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;5-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)picene;21-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-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: 5-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)benzo[c]phenanthrene;21-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-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;5-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)picene;21-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-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: 159940441
• Molecular Formula: C188H128
• Molecular Weight: 2387.09 g/mol
• Exact Mass: 2385.00
• IUPAC Name: 5-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)benzo[c]phenanthrene;21-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-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;5-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)picene;21-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-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)c2cc(-c3cc4ccccc4c4ccccc34)ccc2-c2ccc(-c3cc4c5ccccc5c5ccccc5c4c4ccccc34)cc21.CC1(C)c2cc(-c3ccc4ccccc4c3)ccc2-c2ccc(-c3cc4c5ccccc5c5ccccc5c4c4ccccc34)cc21.CC1(C)c2cc(-c3ccc4ccccc4c3)ccc2-c2ccc(-c3cc4ccc5ccccc5c4c4ccccc34)cc21.CC1(C)c2cc(-c3cccc4ccccc34)ccc2-c2ccc(-c3cc4c(ccc5c6ccccc6ccc54)c4ccccc34)cc21
• InChI: InChI=1S/C51H34.2C47H32.C43H30/c1-51(2)48-28-32(45-27-31-13-3-4-14-34(31)35-15-5-7-18-38(35)45)23-25-41(48)42-26-24-33(29-49(42)51)46-30-47-39-19-8-6-16-36(39)37-17-9-11-21-43(37)50(47)44-22-12-10-20-40(44)46;1-47(2)45-26-31(35-17-9-12-29-10-3-5-13-33(29)35)19-22-41(45)42-23-20-32(27-46(42)47)43-28-44-39-21-18-30-11-4-6-14-34(30)38(39)24-25-40(44)36-15-7-8-16-37(36)43;1-47(2)44-26-32(31-20-19-29-11-3-4-12-30(29)25-31)21-23-38(44)39-24-22-33(27-45(39)47)42-28-43-36-15-6-5-13-34(36)35-14-7-9-17-40(35)46(43)41-18-10-8-16-37(41)42;1-43(2)40-25-31(30-17-15-27-9-3-4-11-29(27)23-30)19-21-36(40)37-22-20-32(26-41(37)43)39-24-33-18-16-28-10-5-6-12-34(28)42(33)38-14-8-7-13-35(38)39/h3-30H,1-2H3;2*3-28H,1-2H3;3-26H,1-2H3
• InChIKey: OAUPLVWGZOOZSB-UHFFFAOYSA-N
• XLogP: 52.37
• TPSA: 0.00 Ų
• Rotatable Bonds: 8
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2387.09
LogP ≤ 5	52.37
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 5-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)benzo[c]phenanthrene;21-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-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;5-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)picene;21-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-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 5-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)benzo[c]phenanthrene;21-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-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;5-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)picene;21-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-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 159940441) is 5-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)benzo[c]phenanthrene;21-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-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;5-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)picene;21-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-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 5-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)benzo[c]phenanthrene;21-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-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;5-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)picene;21-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-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 5-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)benzo[c]phenanthrene;21-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-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;5-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)picene;21-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-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)c2cc(-c3cc4ccccc4c4ccccc34)ccc2-c2ccc(-c3cc4c5ccccc5c5ccccc5c4c4ccccc34)cc21.CC1(C)c2cc(-c3ccc4ccccc4c3)ccc2-c2ccc(-c3cc4c5ccccc5c5ccccc5c4c4ccccc34)cc21.CC1(C)c2cc(-c3ccc4ccccc4c3)ccc2-c2ccc(-c3cc4ccc5ccccc5c4c4ccccc34)cc21.CC1(C)c2cc(-c3cccc4ccccc34)ccc2-c2ccc(-c3cc4c(ccc5c6ccccc6ccc54)c4ccccc34)cc21.

What is the InChIKey of 5-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)benzo[c]phenanthrene;21-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-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;5-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)picene;21-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-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 OAUPLVWGZOOZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34.2C47H32.C43H30/c1-51(2)48-28-32(45-27-31-13-3-4-14-34(31)35-15-5-7-18-38(35)45)23-25-41(48)42-26-24-33(29-49(42)51)46-30-47-39-19-8-6-16-36(39)37-17-9-11-21-43(37)50(47)44-22-12-10-20-40(44)46;1-47(2)45-26-31(35-17-9-12-29-10-3-5-13-33(29)35)19-22-41(45)42-23-20-32(27-46(42)47)43-28-44-39-21-18-30-11-4-6-14-34(30)38(39)24-25-40(44)36-15-7-8-16-37(36)43;1-47(2)44-26-32(31-20-19-29-11-3-4-12-30(29)25-31)21-23-38(44)39-24-22-33(27-45(39)47)42-28-43-36-15-6-5-13-34(36)35-14-7-9-17-40(35)46(43)41-18-10-8-16-37(41)42;1-43(2)40-25-31(30-17-15-27-9-3-4-11-29(27)23-30)19-21-36(40)37-22-20-32(26-41(37)43)39-24-33-18-16-28-10-5-6-12-34(28)42(33)38-14-8-7-13-35(38)39/h3-30H,1-2H3;2*3-28H,1-2H3;3-26H,1-2H3.

What are the key properties of 5-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)benzo[c]phenanthrene;21-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-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;5-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)picene;21-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-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?

5-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)benzo[c]phenanthrene;21-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-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;5-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)picene;21-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-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 2387.09 g/mol, XLogP of 52.37, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)benzo[c]phenanthrene;21-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-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;5-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)picene;21-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-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 159940441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).