7'-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene];7'-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene];7'-[3-(10-phenanthren-9-ylanthracen-9-yl)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]

C198H122 — CID 162031812

About 7'-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene];7'-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene];7'-[3-(10-phenanthren-9-ylanthracen-9-yl)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]

7'-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene];7'-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene];7'-[3-(10-phenanthren-9-ylanthracen-9-yl)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene] (PubChem CID 162031812) has the molecular formula C198H122 and a molecular weight of 2501.15 g/mol. Its IUPAC name is 7'-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene];7'-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene];7'-[3-(10-phenanthren-9-ylanthracen-9-yl)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene].

Molecular Properties

• Compound Name: 7'-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene];7'-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene];7'-[3-(10-phenanthren-9-ylanthracen-9-yl)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]
• PubChem CID: 162031812
• Molecular Formula: C198H122
• Molecular Weight: 2501.15 g/mol
• Exact Mass: 2498.95
• IUPAC Name: 7'-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene];7'-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene];7'-[3-(10-phenanthren-9-ylanthracen-9-yl)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccc6cc7c(cc6c5)C5(c6ccccc6-c6ccccc65)c5cc6ccccc6cc5-7)cc4)c4ccccc34)cc21.c1cc(-c2ccc3cc4c(cc3c2)C2(c3ccccc3-c3ccccc32)c2cc3ccccc3cc2-4)cc(-c2c3ccccc3c(-c3cc4ccccc4c4ccccc34)c3ccccc23)c1.c1cc(-c2ccc3cc4c(cc3c2)C2(c3ccccc3-c3ccccc32)c2cc3ccccc3cc2-4)cc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)c1
• InChI: InChI=1S/C68H44.C67H40.C63H38/c1-67(2)59-24-12-9-17-49(59)52-34-33-47(39-62(52)67)66-55-22-7-5-20-53(55)65(54-21-6-8-23-56(54)66)42-29-27-41(28-30-42)45-31-32-46-37-58-57-36-43-15-3-4-16-44(43)38-63(57)68(64(58)40-48(46)35-45)60-25-13-10-18-50(60)51-19-11-14-26-61(51)68;1-2-17-43-39-63-58(36-42(43)16-1)59-37-45-33-32-44(35-48(45)40-64(59)67(63)61-30-13-11-24-52(61)53-25-12-14-31-62(53)67)41-19-15-20-47(34-41)65-54-26-7-9-28-56(54)66(57-29-10-8-27-55(57)65)60-38-46-18-3-4-21-49(46)50-22-5-6-23-51(50)60;1-2-15-40-32-47(31-28-39(40)14-1)62-53-24-7-5-22-51(53)61(52-23-6-8-25-54(52)62)46-19-13-18-41(33-46)44-29-30-45-36-56-55-35-42-16-3-4-17-43(42)37-59(55)63(60(56)38-48(45)34-44)57-26-11-9-20-49(57)50-21-10-12-27-58(50)63/h3-40H,1-2H3;1-40H;1-38H
• InChIKey: YWCUXDMTFDKZRE-UHFFFAOYSA-N
• XLogP: 52.70
• TPSA: 0.00 Ų
• Rotatable Bonds: 9
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2501.15
LogP ≤ 5	52.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7'-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene];7'-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene];7'-[3-(10-phenanthren-9-ylanthracen-9-yl)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]?

The IUPAC name of 7'-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene];7'-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene];7'-[3-(10-phenanthren-9-ylanthracen-9-yl)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene] (CID 162031812) is 7'-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene];7'-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene];7'-[3-(10-phenanthren-9-ylanthracen-9-yl)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene].

What is the SMILES notation for 7'-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene];7'-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene];7'-[3-(10-phenanthren-9-ylanthracen-9-yl)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]?

The canonical SMILES for 7'-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene];7'-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene];7'-[3-(10-phenanthren-9-ylanthracen-9-yl)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene] is CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccc6cc7c(cc6c5)C5(c6ccccc6-c6ccccc65)c5cc6ccccc6cc5-7)cc4)c4ccccc34)cc21.c1cc(-c2ccc3cc4c(cc3c2)C2(c3ccccc3-c3ccccc32)c2cc3ccccc3cc2-4)cc(-c2c3ccccc3c(-c3cc4ccccc4c4ccccc34)c3ccccc23)c1.c1cc(-c2ccc3cc4c(cc3c2)C2(c3ccccc3-c3ccccc32)c2cc3ccccc3cc2-4)cc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)c1.

What is the InChIKey of 7'-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene];7'-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene];7'-[3-(10-phenanthren-9-ylanthracen-9-yl)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]?

The InChIKey is YWCUXDMTFDKZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H44.C67H40.C63H38/c1-67(2)59-24-12-9-17-49(59)52-34-33-47(39-62(52)67)66-55-22-7-5-20-53(55)65(54-21-6-8-23-56(54)66)42-29-27-41(28-30-42)45-31-32-46-37-58-57-36-43-15-3-4-16-44(43)38-63(57)68(64(58)40-48(46)35-45)60-25-13-10-18-50(60)51-19-11-14-26-61(51)68;1-2-17-43-39-63-58(36-42(43)16-1)59-37-45-33-32-44(35-48(45)40-64(59)67(63)61-30-13-11-24-52(61)53-25-12-14-31-62(53)67)41-19-15-20-47(34-41)65-54-26-7-9-28-56(54)66(57-29-10-8-27-55(57)65)60-38-46-18-3-4-21-49(46)50-22-5-6-23-51(50)60;1-2-15-40-32-47(31-28-39(40)14-1)62-53-24-7-5-22-51(53)61(52-23-6-8-25-54(52)62)46-19-13-18-41(33-46)44-29-30-45-36-56-55-35-42-16-3-4-17-43(42)37-59(55)63(60(56)38-48(45)34-44)57-26-11-9-20-49(57)50-21-10-12-27-58(50)63/h3-40H,1-2H3;1-40H;1-38H.

What are the key properties of 7'-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene];7'-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene];7'-[3-(10-phenanthren-9-ylanthracen-9-yl)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]?

7'-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene];7'-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene];7'-[3-(10-phenanthren-9-ylanthracen-9-yl)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene] has a molecular weight of 2501.15 g/mol, XLogP of 52.70, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 7'-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene];7'-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene];7'-[3-(10-phenanthren-9-ylanthracen-9-yl)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene] is sourced from PubChem (CID 162031812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).