9-[4-(9,9-dimethylfluoren-4-yl)phenyl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9,16-diphenylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;3-(5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-9-phenylcarbazole;2-[2-(5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)phenyl]dibenzothiophene;5-(7-phenylnaphthalen-2-yl)pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaene

C195H125NS — CID 159653357

About 9-[4-(9,9-dimethylfluoren-4-yl)phenyl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9,16-diphenylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;3-(5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-9-phenylcarbazole;2-[2-(5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)phenyl]dibenzothiophene;5-(7-phenylnaphthalen-2-yl)pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaene

9-[4-(9,9-dimethylfluoren-4-yl)phenyl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9,16-diphenylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;3-(5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-9-phenylcarbazole;2-[2-(5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)phenyl]dibenzothiophene;5-(7-phenylnaphthalen-2-yl)pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaene (PubChem CID 159653357) has the molecular formula C195H125NS and a molecular weight of 2514.22 g/mol. Its IUPAC name is 9-[4-(9,9-dimethylfluoren-4-yl)phenyl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9,16-diphenylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;3-(5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-9-phenylcarbazole;2-[2-(5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)phenyl]dibenzothiophene;5-(7-phenylnaphthalen-2-yl)pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaene.

Molecular Properties

• Compound Name: 9-[4-(9,9-dimethylfluoren-4-yl)phenyl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9,16-diphenylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;3-(5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-9-phenylcarbazole;2-[2-(5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)phenyl]dibenzothiophene;5-(7-phenylnaphthalen-2-yl)pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaene
• PubChem CID: 159653357
• Molecular Formula: C195H125NS
• Molecular Weight: 2514.22 g/mol
• Exact Mass: 2511.95
• IUPAC Name: 9-[4-(9,9-dimethylfluoren-4-yl)phenyl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9,16-diphenylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;3-(5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-9-phenylcarbazole;2-[2-(5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)phenyl]dibenzothiophene;5-(7-phenylnaphthalen-2-yl)pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaene
• SMILES: CC1(C)c2ccccc2-c2c(-c3ccc(-c4cc5ccc6ccc7ccccc7c6c5c5ccccc45)cc3)cccc21.c1ccc(-c2cc3ccc4cc(-c5ccccc5)c5ccccc5c4c3c3ccccc23)cc1.c1ccc(-c2ccc3ccc(-c4ccc5ccc6ccc7ccc8ccccc8c7c6c5c4)cc3c2)cc1.c1ccc(-c2ccc3ccc4ccc5ccc6ccccc6c5c4c3c2)c(-c2ccc3sc4ccccc4c3c2)c1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5ccc6ccc7ccc8ccccc8c7c6c5c4)ccc32)cc1
• InChI: InChI=1S/C43H30.C40H25N.C40H24S.C38H24.C34H22/c1-43(2)38-16-8-7-14-36(38)42-33(15-9-17-39(42)43)28-18-20-29(21-19-28)37-26-31-25-24-30-23-22-27-10-3-4-11-32(27)40(30)41(31)35-13-6-5-12-34(35)37;1-2-9-32(10-3-1)41-37-13-7-6-12-34(37)36-25-31(22-23-38(36)41)30-21-16-27-15-18-29-20-19-28-17-14-26-8-4-5-11-33(26)39(28)40(29)35(27)24-30;1-2-10-33-25(7-1)13-16-27-18-19-28-17-14-26-15-20-29(23-35(26)40(28)39(27)33)31-8-3-4-9-32(31)30-21-22-38-36(24-30)34-11-5-6-12-37(34)41-38;1-2-6-25(7-3-1)31-19-10-26-11-20-32(23-34(26)22-31)33-21-14-28-13-16-30-18-17-29-15-12-27-8-4-5-9-35(27)37(29)38(30)36(28)24-33;1-3-11-23(12-4-1)31-21-25-19-20-26-22-32(24-13-5-2-6-14-24)28-16-8-10-18-30(28)34(26)33(25)29-17-9-7-15-27(29)31/h3-26H,1-2H3;1-25H;1-24H;1-24H;1-22H
• InChIKey: MRVVUJAYFSWBDY-UHFFFAOYSA-N
• XLogP: 55.42
• TPSA: 4.93 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 197
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2514.22
LogP ≤ 5	55.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-[4-(9,9-dimethylfluoren-4-yl)phenyl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9,16-diphenylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;3-(5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-9-phenylcarbazole;2-[2-(5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)phenyl]dibenzothiophene;5-(7-phenylnaphthalen-2-yl)pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaene?

The IUPAC name of 9-[4-(9,9-dimethylfluoren-4-yl)phenyl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9,16-diphenylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;3-(5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-9-phenylcarbazole;2-[2-(5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)phenyl]dibenzothiophene;5-(7-phenylnaphthalen-2-yl)pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaene (CID 159653357) is 9-[4-(9,9-dimethylfluoren-4-yl)phenyl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9,16-diphenylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;3-(5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-9-phenylcarbazole;2-[2-(5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)phenyl]dibenzothiophene;5-(7-phenylnaphthalen-2-yl)pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaene.

What is the SMILES notation for 9-[4-(9,9-dimethylfluoren-4-yl)phenyl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9,16-diphenylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;3-(5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-9-phenylcarbazole;2-[2-(5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)phenyl]dibenzothiophene;5-(7-phenylnaphthalen-2-yl)pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaene?

The canonical SMILES for 9-[4-(9,9-dimethylfluoren-4-yl)phenyl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9,16-diphenylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;3-(5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-9-phenylcarbazole;2-[2-(5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)phenyl]dibenzothiophene;5-(7-phenylnaphthalen-2-yl)pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaene is CC1(C)c2ccccc2-c2c(-c3ccc(-c4cc5ccc6ccc7ccccc7c6c5c5ccccc45)cc3)cccc21.c1ccc(-c2cc3ccc4cc(-c5ccccc5)c5ccccc5c4c3c3ccccc23)cc1.c1ccc(-c2ccc3ccc(-c4ccc5ccc6ccc7ccc8ccccc8c7c6c5c4)cc3c2)cc1.c1ccc(-c2ccc3ccc4ccc5ccc6ccccc6c5c4c3c2)c(-c2ccc3sc4ccccc4c3c2)c1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5ccc6ccc7ccc8ccccc8c7c6c5c4)ccc32)cc1.

What is the InChIKey of 9-[4-(9,9-dimethylfluoren-4-yl)phenyl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9,16-diphenylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;3-(5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-9-phenylcarbazole;2-[2-(5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)phenyl]dibenzothiophene;5-(7-phenylnaphthalen-2-yl)pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaene?

The InChIKey is MRVVUJAYFSWBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30.C40H25N.C40H24S.C38H24.C34H22/c1-43(2)38-16-8-7-14-36(38)42-33(15-9-17-39(42)43)28-18-20-29(21-19-28)37-26-31-25-24-30-23-22-27-10-3-4-11-32(27)40(30)41(31)35-13-6-5-12-34(35)37;1-2-9-32(10-3-1)41-37-13-7-6-12-34(37)36-25-31(22-23-38(36)41)30-21-16-27-15-18-29-20-19-28-17-14-26-8-4-5-11-33(26)39(28)40(29)35(27)24-30;1-2-10-33-25(7-1)13-16-27-18-19-28-17-14-26-15-20-29(23-35(26)40(28)39(27)33)31-8-3-4-9-32(31)30-21-22-38-36(24-30)34-11-5-6-12-37(34)41-38;1-2-6-25(7-3-1)31-19-10-26-11-20-32(23-34(26)22-31)33-21-14-28-13-16-30-18-17-29-15-12-27-8-4-5-9-35(27)37(29)38(30)36(28)24-33;1-3-11-23(12-4-1)31-21-25-19-20-26-22-32(24-13-5-2-6-14-24)28-16-8-10-18-30(28)34(26)33(25)29-17-9-7-15-27(29)31/h3-26H,1-2H3;1-25H;1-24H;1-24H;1-22H.

What are the key properties of 9-[4-(9,9-dimethylfluoren-4-yl)phenyl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9,16-diphenylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;3-(5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-9-phenylcarbazole;2-[2-(5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)phenyl]dibenzothiophene;5-(7-phenylnaphthalen-2-yl)pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaene?

9-[4-(9,9-dimethylfluoren-4-yl)phenyl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9,16-diphenylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;3-(5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-9-phenylcarbazole;2-[2-(5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)phenyl]dibenzothiophene;5-(7-phenylnaphthalen-2-yl)pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaene has a molecular weight of 2514.22 g/mol, XLogP of 55.42, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-(9,9-dimethylfluoren-4-yl)phenyl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;9,16-diphenylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;3-(5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-9-phenylcarbazole;2-[2-(5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)phenyl]dibenzothiophene;5-(7-phenylnaphthalen-2-yl)pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaene is sourced from PubChem (CID 159653357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).