19-[4-(9,9-dimethylfluoren-3-yl)phenyl]hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaene;2-[4-(17-pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaenyl)phenyl]dibenzofuran;17-[3-(6-phenylnaphthalen-1-yl)phenyl]pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaene

C125H78O — CID 159519738

About 19-[4-(9,9-dimethylfluoren-3-yl)phenyl]hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaene;2-[4-(17-pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaenyl)phenyl]dibenzofuran;17-[3-(6-phenylnaphthalen-1-yl)phenyl]pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaene

19-[4-(9,9-dimethylfluoren-3-yl)phenyl]hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaene;2-[4-(17-pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaenyl)phenyl]dibenzofuran;17-[3-(6-phenylnaphthalen-1-yl)phenyl]pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaene (PubChem CID 159519738) has the molecular formula C125H78O and a molecular weight of 1596.00 g/mol. Its IUPAC name is 19-[4-(9,9-dimethylfluoren-3-yl)phenyl]hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaene;2-[4-(17-pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaenyl)phenyl]dibenzofuran;17-[3-(6-phenylnaphthalen-1-yl)phenyl]pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaene.

Molecular Properties

• Compound Name: 19-[4-(9,9-dimethylfluoren-3-yl)phenyl]hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaene;2-[4-(17-pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaenyl)phenyl]dibenzofuran;17-[3-(6-phenylnaphthalen-1-yl)phenyl]pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaene
• PubChem CID: 159519738
• Molecular Formula: C125H78O
• Molecular Weight: 1596.00 g/mol
• Exact Mass: 1594.61
• IUPAC Name: 19-[4-(9,9-dimethylfluoren-3-yl)phenyl]hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaene;2-[4-(17-pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaenyl)phenyl]dibenzofuran;17-[3-(6-phenylnaphthalen-1-yl)phenyl]pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaene
• SMILES: CC1(C)c2ccccc2-c2cc(-c3ccc(-c4ccc5c6c(cccc46)-c4c-5c5ccccc5c5ccccc45)cc3)ccc21.c1ccc(-c2ccc3c(-c4cccc(-c5ccc6c7c(cccc57)-c5ccc7ccccc7c5-6)c4)cccc3c2)cc1.c1ccc2c3c(ccc2c1)-c1cccc2c(-c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)ccc-3c12
• InChI: InChI=1S/C45H30.C42H26.C38H22O/c1-45(2)40-17-8-7-12-33(40)39-26-29(22-25-41(39)45)27-18-20-28(21-19-27)30-23-24-38-42-34(30)15-9-16-37(42)43-35-13-5-3-10-31(35)32-11-4-6-14-36(32)44(38)43;1-2-9-27(10-3-1)29-20-21-34-30(25-29)14-7-16-33(34)31-12-6-13-32(26-31)35-23-24-40-41-36-15-5-4-11-28(36)19-22-39(41)38-18-8-17-37(35)42(38)40;1-2-7-28-24(6-1)16-18-32-31-10-5-9-30-27(19-20-33(37(28)32)38(30)31)25-14-12-23(13-15-25)26-17-21-36-34(22-26)29-8-3-4-11-35(29)39-36/h3-26H,1-2H3;1-26H;1-22H
• InChIKey: MBQPOZABCJETGF-UHFFFAOYSA-N
• XLogP: 35.10
• TPSA: 13.14 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1596.00
LogP ≤ 5	35.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 19-[4-(9,9-dimethylfluoren-3-yl)phenyl]hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaene;2-[4-(17-pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaenyl)phenyl]dibenzofuran;17-[3-(6-phenylnaphthalen-1-yl)phenyl]pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaene?

The IUPAC name of 19-[4-(9,9-dimethylfluoren-3-yl)phenyl]hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaene;2-[4-(17-pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaenyl)phenyl]dibenzofuran;17-[3-(6-phenylnaphthalen-1-yl)phenyl]pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaene (CID 159519738) is 19-[4-(9,9-dimethylfluoren-3-yl)phenyl]hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaene;2-[4-(17-pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaenyl)phenyl]dibenzofuran;17-[3-(6-phenylnaphthalen-1-yl)phenyl]pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaene.

What is the SMILES notation for 19-[4-(9,9-dimethylfluoren-3-yl)phenyl]hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaene;2-[4-(17-pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaenyl)phenyl]dibenzofuran;17-[3-(6-phenylnaphthalen-1-yl)phenyl]pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaene?

The canonical SMILES for 19-[4-(9,9-dimethylfluoren-3-yl)phenyl]hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaene;2-[4-(17-pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaenyl)phenyl]dibenzofuran;17-[3-(6-phenylnaphthalen-1-yl)phenyl]pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaene is CC1(C)c2ccccc2-c2cc(-c3ccc(-c4ccc5c6c(cccc46)-c4c-5c5ccccc5c5ccccc45)cc3)ccc21.c1ccc(-c2ccc3c(-c4cccc(-c5ccc6c7c(cccc57)-c5ccc7ccccc7c5-6)c4)cccc3c2)cc1.c1ccc2c3c(ccc2c1)-c1cccc2c(-c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)ccc-3c12.

What is the InChIKey of 19-[4-(9,9-dimethylfluoren-3-yl)phenyl]hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaene;2-[4-(17-pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaenyl)phenyl]dibenzofuran;17-[3-(6-phenylnaphthalen-1-yl)phenyl]pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaene?

The InChIKey is MBQPOZABCJETGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30.C42H26.C38H22O/c1-45(2)40-17-8-7-12-33(40)39-26-29(22-25-41(39)45)27-18-20-28(21-19-27)30-23-24-38-42-34(30)15-9-16-37(42)43-35-13-5-3-10-31(35)32-11-4-6-14-36(32)44(38)43;1-2-9-27(10-3-1)29-20-21-34-30(25-29)14-7-16-33(34)31-12-6-13-32(26-31)35-23-24-40-41-36-15-5-4-11-28(36)19-22-39(41)38-18-8-17-37(35)42(38)40;1-2-7-28-24(6-1)16-18-32-31-10-5-9-30-27(19-20-33(37(28)32)38(30)31)25-14-12-23(13-15-25)26-17-21-36-34(22-26)29-8-3-4-11-35(29)39-36/h3-26H,1-2H3;1-26H;1-22H.

What are the key properties of 19-[4-(9,9-dimethylfluoren-3-yl)phenyl]hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaene;2-[4-(17-pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaenyl)phenyl]dibenzofuran;17-[3-(6-phenylnaphthalen-1-yl)phenyl]pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaene?

19-[4-(9,9-dimethylfluoren-3-yl)phenyl]hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaene;2-[4-(17-pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaenyl)phenyl]dibenzofuran;17-[3-(6-phenylnaphthalen-1-yl)phenyl]pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaene has a molecular weight of 1596.00 g/mol, XLogP of 35.10, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 19-[4-(9,9-dimethylfluoren-3-yl)phenyl]hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaene;2-[4-(17-pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaenyl)phenyl]dibenzofuran;17-[3-(6-phenylnaphthalen-1-yl)phenyl]pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaene is sourced from PubChem (CID 159519738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).