N-(7,7-dimethylbenzo[g]fluoren-9-yl)-12,12-dimethyl-N-naphthalen-2-ylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine;N-(7,7-dimethylbenzo[g]fluoren-9-yl)-12,12-dimethyl-N-triphenylen-2-ylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine;N-(7,7-dimethylbenzo[g]fluoren-9-yl)-12,12-dimethyl-N-triphenylen-2-ylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaen-7-amine

C172H125N3 — CID 158086959

About N-(7,7-dimethylbenzo[g]fluoren-9-yl)-12,12-dimethyl-N-naphthalen-2-ylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine;N-(7,7-dimethylbenzo[g]fluoren-9-yl)-12,12-dimethyl-N-triphenylen-2-ylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine;N-(7,7-dimethylbenzo[g]fluoren-9-yl)-12,12-dimethyl-N-triphenylen-2-ylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaen-7-amine

N-(7,7-dimethylbenzo[g]fluoren-9-yl)-12,12-dimethyl-N-naphthalen-2-ylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine;N-(7,7-dimethylbenzo[g]fluoren-9-yl)-12,12-dimethyl-N-triphenylen-2-ylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine;N-(7,7-dimethylbenzo[g]fluoren-9-yl)-12,12-dimethyl-N-triphenylen-2-ylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaen-7-amine (PubChem CID 158086959) has the molecular formula C172H125N3 and a molecular weight of 2233.91 g/mol. Its IUPAC name is N-(7,7-dimethylbenzo[g]fluoren-9-yl)-12,12-dimethyl-N-naphthalen-2-ylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine;N-(7,7-dimethylbenzo[g]fluoren-9-yl)-12,12-dimethyl-N-triphenylen-2-ylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine;N-(7,7-dimethylbenzo[g]fluoren-9-yl)-12,12-dimethyl-N-triphenylen-2-ylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaen-7-amine.

Molecular Properties

• Compound Name: N-(7,7-dimethylbenzo[g]fluoren-9-yl)-12,12-dimethyl-N-naphthalen-2-ylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine;N-(7,7-dimethylbenzo[g]fluoren-9-yl)-12,12-dimethyl-N-triphenylen-2-ylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine;N-(7,7-dimethylbenzo[g]fluoren-9-yl)-12,12-dimethyl-N-triphenylen-2-ylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaen-7-amine
• PubChem CID: 158086959
• Molecular Formula: C172H125N3
• Molecular Weight: 2233.91 g/mol
• Exact Mass: 2231.99
• IUPAC Name: N-(7,7-dimethylbenzo[g]fluoren-9-yl)-12,12-dimethyl-N-naphthalen-2-ylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine;N-(7,7-dimethylbenzo[g]fluoren-9-yl)-12,12-dimethyl-N-triphenylen-2-ylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine;N-(7,7-dimethylbenzo[g]fluoren-9-yl)-12,12-dimethyl-N-triphenylen-2-ylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaen-7-amine
• SMILES: CC1(C)c2cc(N(c3ccc4c5c(ccc4c3)-c3ccc4ccccc4c3C5(C)C)c3ccc4c5ccccc5c5ccccc5c4c3)ccc2-c2c1ccc1ccccc21.CC1(C)c2cc3ccccc3cc2-c2cc3ccc(N(c4ccc5c(c4)C(C)(C)c4ccc6ccccc6c4-5)c4ccc5c6ccccc6c6ccccc6c5c4)cc3cc21.CC1(C)c2cc3ccccc3cc2-c2cc3ccc(N(c4ccc5c(c4)C(C)(C)c4ccc6ccccc6c4-5)c4ccc5ccccc5c4)cc3cc21
• InChI: InChI=1S/2C60H43N.C52H39N/c1-59(2)54-32-23-36-13-5-7-15-42(36)56(54)52-31-26-41(35-55(52)59)61(40-25-30-49-47-19-10-9-17-45(47)46-18-11-12-20-48(46)53(49)34-40)39-24-29-44-38(33-39)22-28-51-50-27-21-37-14-6-8-16-43(37)57(50)60(3,4)58(44)51;1-59(2)54-28-22-36-13-7-8-16-44(36)58(54)50-27-25-43(35-57(50)59)61(42-24-26-49-47-19-10-9-17-45(47)46-18-11-12-20-48(46)51(49)34-42)41-23-21-39-31-53-52-30-37-14-5-6-15-38(37)32-55(52)60(3,4)56(53)33-40(39)29-41;1-51(2)46-24-19-33-12-9-10-16-42(33)50(46)43-23-22-41(31-49(43)51)53(39-20-17-32-11-5-6-13-34(32)25-39)40-21-18-37-28-45-44-27-35-14-7-8-15-36(35)29-47(44)52(3,4)48(45)30-38(37)26-40/h2*5-35H,1-4H3;5-31H,1-4H3
• InChIKey: FNPZPDJGKIWMHD-UHFFFAOYSA-N
• XLogP: 47.76
• TPSA: 9.72 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2233.91
LogP ≤ 5	47.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(7,7-dimethylbenzo[g]fluoren-9-yl)-12,12-dimethyl-N-naphthalen-2-ylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine;N-(7,7-dimethylbenzo[g]fluoren-9-yl)-12,12-dimethyl-N-triphenylen-2-ylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine;N-(7,7-dimethylbenzo[g]fluoren-9-yl)-12,12-dimethyl-N-triphenylen-2-ylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaen-7-amine?

The IUPAC name of N-(7,7-dimethylbenzo[g]fluoren-9-yl)-12,12-dimethyl-N-naphthalen-2-ylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine;N-(7,7-dimethylbenzo[g]fluoren-9-yl)-12,12-dimethyl-N-triphenylen-2-ylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine;N-(7,7-dimethylbenzo[g]fluoren-9-yl)-12,12-dimethyl-N-triphenylen-2-ylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaen-7-amine (CID 158086959) is N-(7,7-dimethylbenzo[g]fluoren-9-yl)-12,12-dimethyl-N-naphthalen-2-ylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine;N-(7,7-dimethylbenzo[g]fluoren-9-yl)-12,12-dimethyl-N-triphenylen-2-ylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine;N-(7,7-dimethylbenzo[g]fluoren-9-yl)-12,12-dimethyl-N-triphenylen-2-ylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaen-7-amine.

What is the SMILES notation for N-(7,7-dimethylbenzo[g]fluoren-9-yl)-12,12-dimethyl-N-naphthalen-2-ylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine;N-(7,7-dimethylbenzo[g]fluoren-9-yl)-12,12-dimethyl-N-triphenylen-2-ylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine;N-(7,7-dimethylbenzo[g]fluoren-9-yl)-12,12-dimethyl-N-triphenylen-2-ylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaen-7-amine?

The canonical SMILES for N-(7,7-dimethylbenzo[g]fluoren-9-yl)-12,12-dimethyl-N-naphthalen-2-ylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine;N-(7,7-dimethylbenzo[g]fluoren-9-yl)-12,12-dimethyl-N-triphenylen-2-ylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine;N-(7,7-dimethylbenzo[g]fluoren-9-yl)-12,12-dimethyl-N-triphenylen-2-ylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaen-7-amine is CC1(C)c2cc(N(c3ccc4c5c(ccc4c3)-c3ccc4ccccc4c3C5(C)C)c3ccc4c5ccccc5c5ccccc5c4c3)ccc2-c2c1ccc1ccccc21.CC1(C)c2cc3ccccc3cc2-c2cc3ccc(N(c4ccc5c(c4)C(C)(C)c4ccc6ccccc6c4-5)c4ccc5c6ccccc6c6ccccc6c5c4)cc3cc21.CC1(C)c2cc3ccccc3cc2-c2cc3ccc(N(c4ccc5c(c4)C(C)(C)c4ccc6ccccc6c4-5)c4ccc5ccccc5c4)cc3cc21.

What is the InChIKey of N-(7,7-dimethylbenzo[g]fluoren-9-yl)-12,12-dimethyl-N-naphthalen-2-ylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine;N-(7,7-dimethylbenzo[g]fluoren-9-yl)-12,12-dimethyl-N-triphenylen-2-ylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine;N-(7,7-dimethylbenzo[g]fluoren-9-yl)-12,12-dimethyl-N-triphenylen-2-ylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaen-7-amine?

The InChIKey is FNPZPDJGKIWMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C60H43N.C52H39N/c1-59(2)54-32-23-36-13-5-7-15-42(36)56(54)52-31-26-41(35-55(52)59)61(40-25-30-49-47-19-10-9-17-45(47)46-18-11-12-20-48(46)53(49)34-40)39-24-29-44-38(33-39)22-28-51-50-27-21-37-14-6-8-16-43(37)57(50)60(3,4)58(44)51;1-59(2)54-28-22-36-13-7-8-16-44(36)58(54)50-27-25-43(35-57(50)59)61(42-24-26-49-47-19-10-9-17-45(47)46-18-11-12-20-48(46)51(49)34-42)41-23-21-39-31-53-52-30-37-14-5-6-15-38(37)32-55(52)60(3,4)56(53)33-40(39)29-41;1-51(2)46-24-19-33-12-9-10-16-42(33)50(46)43-23-22-41(31-49(43)51)53(39-20-17-32-11-5-6-13-34(32)25-39)40-21-18-37-28-45-44-27-35-14-7-8-15-36(35)29-47(44)52(3,4)48(45)30-38(37)26-40/h2*5-35H,1-4H3;5-31H,1-4H3.

What are the key properties of N-(7,7-dimethylbenzo[g]fluoren-9-yl)-12,12-dimethyl-N-naphthalen-2-ylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine;N-(7,7-dimethylbenzo[g]fluoren-9-yl)-12,12-dimethyl-N-triphenylen-2-ylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine;N-(7,7-dimethylbenzo[g]fluoren-9-yl)-12,12-dimethyl-N-triphenylen-2-ylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaen-7-amine?

N-(7,7-dimethylbenzo[g]fluoren-9-yl)-12,12-dimethyl-N-naphthalen-2-ylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine;N-(7,7-dimethylbenzo[g]fluoren-9-yl)-12,12-dimethyl-N-triphenylen-2-ylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine;N-(7,7-dimethylbenzo[g]fluoren-9-yl)-12,12-dimethyl-N-triphenylen-2-ylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaen-7-amine has a molecular weight of 2233.91 g/mol, XLogP of 47.76, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(7,7-dimethylbenzo[g]fluoren-9-yl)-12,12-dimethyl-N-naphthalen-2-ylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine;N-(7,7-dimethylbenzo[g]fluoren-9-yl)-12,12-dimethyl-N-triphenylen-2-ylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine;N-(7,7-dimethylbenzo[g]fluoren-9-yl)-12,12-dimethyl-N-triphenylen-2-ylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaen-7-amine is sourced from PubChem (CID 158086959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).