3,12-bis(9,9-dimethylfluoren-2-yl)-4,5-diphenyl-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaene;3-(9,9-dimethylfluoren-2-yl)-12-naphthalen-2-yl-4,5-diphenyl-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaene;3-(9,9-diphenylfluoren-2-yl)-4,5-dimethyl-12-(10-naphthalen-1-ylanthracen-9-yl)-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaene;12-(4-naphthalen-1-ylphenyl)-3-phenanthren-2-yl-4,5-diphenyl-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaene

C244H162N4 — CID 157106593

About 3,12-bis(9,9-dimethylfluoren-2-yl)-4,5-diphenyl-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaene;3-(9,9-dimethylfluoren-2-yl)-12-naphthalen-2-yl-4,5-diphenyl-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaene;3-(9,9-diphenylfluoren-2-yl)-4,5-dimethyl-12-(10-naphthalen-1-ylanthracen-9-yl)-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaene;12-(4-naphthalen-1-ylphenyl)-3-phenanthren-2-yl-4,5-diphenyl-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaene

3,12-bis(9,9-dimethylfluoren-2-yl)-4,5-diphenyl-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaene;3-(9,9-dimethylfluoren-2-yl)-12-naphthalen-2-yl-4,5-diphenyl-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaene;3-(9,9-diphenylfluoren-2-yl)-4,5-dimethyl-12-(10-naphthalen-1-ylanthracen-9-yl)-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaene;12-(4-naphthalen-1-ylphenyl)-3-phenanthren-2-yl-4,5-diphenyl-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaene (PubChem CID 157106593) has the molecular formula C244H162N4 and a molecular weight of 3150.01 g/mol. Its IUPAC name is 3,12-bis(9,9-dimethylfluoren-2-yl)-4,5-diphenyl-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaene;3-(9,9-dimethylfluoren-2-yl)-12-naphthalen-2-yl-4,5-diphenyl-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaene;3-(9,9-diphenylfluoren-2-yl)-4,5-dimethyl-12-(10-naphthalen-1-ylanthracen-9-yl)-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaene;12-(4-naphthalen-1-ylphenyl)-3-phenanthren-2-yl-4,5-diphenyl-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaene.

Molecular Properties

• Compound Name: 3,12-bis(9,9-dimethylfluoren-2-yl)-4,5-diphenyl-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaene;3-(9,9-dimethylfluoren-2-yl)-12-naphthalen-2-yl-4,5-diphenyl-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaene;3-(9,9-diphenylfluoren-2-yl)-4,5-dimethyl-12-(10-naphthalen-1-ylanthracen-9-yl)-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaene;12-(4-naphthalen-1-ylphenyl)-3-phenanthren-2-yl-4,5-diphenyl-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaene
• PubChem CID: 157106593
• Molecular Formula: C244H162N4
• Molecular Weight: 3150.01 g/mol
• Exact Mass: 3147.28
• IUPAC Name: 3,12-bis(9,9-dimethylfluoren-2-yl)-4,5-diphenyl-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaene;3-(9,9-dimethylfluoren-2-yl)-12-naphthalen-2-yl-4,5-diphenyl-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaene;3-(9,9-diphenylfluoren-2-yl)-4,5-dimethyl-12-(10-naphthalen-1-ylanthracen-9-yl)-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaene;12-(4-naphthalen-1-ylphenyl)-3-phenanthren-2-yl-4,5-diphenyl-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaene
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3ccc4ccc5c6c(ccc3c46)cc3c(-c4ccccc4)c(-c4ccccc4)n(-c4ccc6c(c4)C(C)(C)c4ccccc4-6)c35)cc21.CC1(C)c2ccccc2-c2ccc(-n3c(-c4ccccc4)c(-c4ccccc4)c4cc5ccc6c(-c7ccc8ccccc8c7)ccc7ccc(c5c76)c43)cc21.Cc1c(C)n(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c2c1cc1ccc3c(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)ccc4ccc2c1c43.c1ccc(-c2c(-c3ccccc3)n(-c3ccc4c(ccc5ccccc54)c3)c3c2cc2ccc4c(-c5ccc(-c6cccc7ccccc67)cc5)ccc5ccc3c2c54)cc1
• InChI: InChI=1S/C69H45N.C60H43N.C60H37N.C55H37N/c1-42-43(2)70(49-35-39-52-51-25-15-16-31-62(51)69(63(52)41-49,47-20-5-3-6-21-47)48-22-7-4-8-23-48)68-60-38-33-45-32-36-59(58-37-34-46(40-61(42)68)65(60)64(45)58)67-56-28-13-11-26-54(56)66(55-27-12-14-29-57(55)67)53-30-17-19-44-18-9-10-24-50(44)53;1-59(2)50-21-13-11-19-43(50)45-29-25-39(34-52(45)59)42-28-23-37-24-31-48-55-40(26-30-47(42)54(37)55)33-49-56(36-15-7-5-8-16-36)57(38-17-9-6-10-18-38)61(58(48)49)41-27-32-46-44-20-12-14-22-51(44)60(3,4)53(46)35-41;1-3-14-42(15-4-1)58-55-37-46-30-33-53-51(41-24-22-40(23-25-41)50-21-11-18-38-12-7-9-19-48(38)50)32-28-43-29-34-54(57(46)56(43)53)60(55)61(59(58)44-16-5-2-6-17-44)47-31-35-52-45(36-47)27-26-39-13-8-10-20-49(39)52;1-55(2)48-20-12-11-19-43(48)44-30-26-41(33-49(44)55)56-53(37-16-7-4-8-17-37)52(35-14-5-3-6-15-35)47-32-40-25-28-45-42(39-22-21-34-13-9-10-18-38(34)31-39)27-23-36-24-29-46(54(47)56)51(40)50(36)45/h3-41H,1-2H3;5-35H,1-4H3;1-37H;3-33H,1-2H3
• InChIKey: AGJGZXKBOGJMAN-UHFFFAOYSA-N
• XLogP: 66.09
• TPSA: 19.72 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 18
• Heavy Atoms: 248
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3150.01
LogP ≤ 5	66.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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 3,12-bis(9,9-dimethylfluoren-2-yl)-4,5-diphenyl-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaene;3-(9,9-dimethylfluoren-2-yl)-12-naphthalen-2-yl-4,5-diphenyl-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaene;3-(9,9-diphenylfluoren-2-yl)-4,5-dimethyl-12-(10-naphthalen-1-ylanthracen-9-yl)-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaene;12-(4-naphthalen-1-ylphenyl)-3-phenanthren-2-yl-4,5-diphenyl-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaene?

The IUPAC name of 3,12-bis(9,9-dimethylfluoren-2-yl)-4,5-diphenyl-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaene;3-(9,9-dimethylfluoren-2-yl)-12-naphthalen-2-yl-4,5-diphenyl-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaene;3-(9,9-diphenylfluoren-2-yl)-4,5-dimethyl-12-(10-naphthalen-1-ylanthracen-9-yl)-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaene;12-(4-naphthalen-1-ylphenyl)-3-phenanthren-2-yl-4,5-diphenyl-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaene (CID 157106593) is 3,12-bis(9,9-dimethylfluoren-2-yl)-4,5-diphenyl-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaene;3-(9,9-dimethylfluoren-2-yl)-12-naphthalen-2-yl-4,5-diphenyl-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaene;3-(9,9-diphenylfluoren-2-yl)-4,5-dimethyl-12-(10-naphthalen-1-ylanthracen-9-yl)-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaene;12-(4-naphthalen-1-ylphenyl)-3-phenanthren-2-yl-4,5-diphenyl-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaene.

What is the SMILES notation for 3,12-bis(9,9-dimethylfluoren-2-yl)-4,5-diphenyl-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaene;3-(9,9-dimethylfluoren-2-yl)-12-naphthalen-2-yl-4,5-diphenyl-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaene;3-(9,9-diphenylfluoren-2-yl)-4,5-dimethyl-12-(10-naphthalen-1-ylanthracen-9-yl)-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaene;12-(4-naphthalen-1-ylphenyl)-3-phenanthren-2-yl-4,5-diphenyl-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaene?

The canonical SMILES for 3,12-bis(9,9-dimethylfluoren-2-yl)-4,5-diphenyl-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaene;3-(9,9-dimethylfluoren-2-yl)-12-naphthalen-2-yl-4,5-diphenyl-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaene;3-(9,9-diphenylfluoren-2-yl)-4,5-dimethyl-12-(10-naphthalen-1-ylanthracen-9-yl)-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaene;12-(4-naphthalen-1-ylphenyl)-3-phenanthren-2-yl-4,5-diphenyl-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaene is CC1(C)c2ccccc2-c2ccc(-c3ccc4ccc5c6c(ccc3c46)cc3c(-c4ccccc4)c(-c4ccccc4)n(-c4ccc6c(c4)C(C)(C)c4ccccc4-6)c35)cc21.CC1(C)c2ccccc2-c2ccc(-n3c(-c4ccccc4)c(-c4ccccc4)c4cc5ccc6c(-c7ccc8ccccc8c7)ccc7ccc(c5c76)c43)cc21.Cc1c(C)n(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c2c1cc1ccc3c(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)ccc4ccc2c1c43.c1ccc(-c2c(-c3ccccc3)n(-c3ccc4c(ccc5ccccc54)c3)c3c2cc2ccc4c(-c5ccc(-c6cccc7ccccc67)cc5)ccc5ccc3c2c54)cc1.

What is the InChIKey of 3,12-bis(9,9-dimethylfluoren-2-yl)-4,5-diphenyl-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaene;3-(9,9-dimethylfluoren-2-yl)-12-naphthalen-2-yl-4,5-diphenyl-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaene;3-(9,9-diphenylfluoren-2-yl)-4,5-dimethyl-12-(10-naphthalen-1-ylanthracen-9-yl)-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaene;12-(4-naphthalen-1-ylphenyl)-3-phenanthren-2-yl-4,5-diphenyl-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaene?

The InChIKey is AGJGZXKBOGJMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H45N.C60H43N.C60H37N.C55H37N/c1-42-43(2)70(49-35-39-52-51-25-15-16-31-62(51)69(63(52)41-49,47-20-5-3-6-21-47)48-22-7-4-8-23-48)68-60-38-33-45-32-36-59(58-37-34-46(40-61(42)68)65(60)64(45)58)67-56-28-13-11-26-54(56)66(55-27-12-14-29-57(55)67)53-30-17-19-44-18-9-10-24-50(44)53;1-59(2)50-21-13-11-19-43(50)45-29-25-39(34-52(45)59)42-28-23-37-24-31-48-55-40(26-30-47(42)54(37)55)33-49-56(36-15-7-5-8-16-36)57(38-17-9-6-10-18-38)61(58(48)49)41-27-32-46-44-20-12-14-22-51(44)60(3,4)53(46)35-41;1-3-14-42(15-4-1)58-55-37-46-30-33-53-51(41-24-22-40(23-25-41)50-21-11-18-38-12-7-9-19-48(38)50)32-28-43-29-34-54(57(46)56(43)53)60(55)61(59(58)44-16-5-2-6-17-44)47-31-35-52-45(36-47)27-26-39-13-8-10-20-49(39)52;1-55(2)48-20-12-11-19-43(48)44-30-26-41(33-49(44)55)56-53(37-16-7-4-8-17-37)52(35-14-5-3-6-15-35)47-32-40-25-28-45-42(39-22-21-34-13-9-10-18-38(34)31-39)27-23-36-24-29-46(54(47)56)51(40)50(36)45/h3-41H,1-2H3;5-35H,1-4H3;1-37H;3-33H,1-2H3.

What are the key properties of 3,12-bis(9,9-dimethylfluoren-2-yl)-4,5-diphenyl-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaene;3-(9,9-dimethylfluoren-2-yl)-12-naphthalen-2-yl-4,5-diphenyl-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaene;3-(9,9-diphenylfluoren-2-yl)-4,5-dimethyl-12-(10-naphthalen-1-ylanthracen-9-yl)-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaene;12-(4-naphthalen-1-ylphenyl)-3-phenanthren-2-yl-4,5-diphenyl-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaene?

3,12-bis(9,9-dimethylfluoren-2-yl)-4,5-diphenyl-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaene;3-(9,9-dimethylfluoren-2-yl)-12-naphthalen-2-yl-4,5-diphenyl-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaene;3-(9,9-diphenylfluoren-2-yl)-4,5-dimethyl-12-(10-naphthalen-1-ylanthracen-9-yl)-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaene;12-(4-naphthalen-1-ylphenyl)-3-phenanthren-2-yl-4,5-diphenyl-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaene has a molecular weight of 3150.01 g/mol, XLogP of 66.09, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3,12-bis(9,9-dimethylfluoren-2-yl)-4,5-diphenyl-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaene;3-(9,9-dimethylfluoren-2-yl)-12-naphthalen-2-yl-4,5-diphenyl-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaene;3-(9,9-diphenylfluoren-2-yl)-4,5-dimethyl-12-(10-naphthalen-1-ylanthracen-9-yl)-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaene;12-(4-naphthalen-1-ylphenyl)-3-phenanthren-2-yl-4,5-diphenyl-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaene is sourced from PubChem (CID 157106593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).