N-(9,9-diphenylfluoren-2-yl)-N-phenylheptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-5-amine;N-(5-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N,9-diphenylcarbazol-2-amine;N-(5-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N,9-diphenylcarbazol-3-amine

C154H95N5 — CID 159860260

About N-(9,9-diphenylfluoren-2-yl)-N-phenylheptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-5-amine;N-(5-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N,9-diphenylcarbazol-2-amine;N-(5-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N,9-diphenylcarbazol-3-amine

N-(9,9-diphenylfluoren-2-yl)-N-phenylheptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-5-amine;N-(5-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N,9-diphenylcarbazol-2-amine;N-(5-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N,9-diphenylcarbazol-3-amine (PubChem CID 159860260) has the molecular formula C154H95N5 and a molecular weight of 2015.49 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-2-yl)-N-phenylheptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-5-amine;N-(5-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N,9-diphenylcarbazol-2-amine;N-(5-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N,9-diphenylcarbazol-3-amine.

Molecular Properties

• Compound Name: N-(9,9-diphenylfluoren-2-yl)-N-phenylheptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-5-amine;N-(5-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N,9-diphenylcarbazol-2-amine;N-(5-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N,9-diphenylcarbazol-3-amine
• PubChem CID: 159860260
• Molecular Formula: C154H95N5
• Molecular Weight: 2015.49 g/mol
• Exact Mass: 2013.76
• IUPAC Name: N-(9,9-diphenylfluoren-2-yl)-N-phenylheptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-5-amine;N-(5-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N,9-diphenylcarbazol-2-amine;N-(5-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N,9-diphenylcarbazol-3-amine
• SMILES: c1ccc(N(c2ccc3c(c2)-c2cccc4c2C32c3ccccc3-c3cccc-4c32)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1.c1ccc(N(c2ccc3c(c2)-c2cccc4c2C32c3ccccc3-c3cccc-4c32)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.c1ccc(N(c2ccc3c(c2)-c2cccc4c2C32c3ccccc3-c3cccc-4c32)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1
• InChI: InChI=1S/C56H35N.2C49H30N2/c1-4-16-36(17-5-1)55(37-18-6-2-7-19-37)49-28-12-10-22-41(49)43-32-30-40(35-52(43)55)57(38-20-8-3-9-21-38)39-31-33-51-48(34-39)47-27-15-26-46-45-25-14-24-44-42-23-11-13-29-50(42)56(51,53(44)45)54(46)47;1-3-13-31(14-4-1)50(34-25-27-37-36-18-8-10-24-45(36)51(46(37)30-34)32-15-5-2-6-16-32)33-26-28-44-42(29-33)41-22-12-21-40-39-20-11-19-38-35-17-7-9-23-43(35)49(44,47(38)39)48(40)41;1-3-13-31(14-4-1)50(34-26-28-46-42(30-34)36-18-8-10-24-45(36)51(46)32-15-5-2-6-16-32)33-25-27-44-41(29-33)40-22-12-21-39-38-20-11-19-37-35-17-7-9-23-43(35)49(44,47(37)38)48(39)40/h1-35H;2*1-30H
• InChIKey: NRBAGXWEYUTNRU-UHFFFAOYSA-N
• XLogP: 39.00
• TPSA: 19.58 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 13
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2015.49
LogP ≤ 5	39.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-phenylheptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-5-amine;N-(5-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N,9-diphenylcarbazol-2-amine;N-(5-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N,9-diphenylcarbazol-3-amine?

The IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-phenylheptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-5-amine;N-(5-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N,9-diphenylcarbazol-2-amine;N-(5-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N,9-diphenylcarbazol-3-amine (CID 159860260) is N-(9,9-diphenylfluoren-2-yl)-N-phenylheptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-5-amine;N-(5-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N,9-diphenylcarbazol-2-amine;N-(5-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N,9-diphenylcarbazol-3-amine.

What is the SMILES notation for N-(9,9-diphenylfluoren-2-yl)-N-phenylheptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-5-amine;N-(5-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N,9-diphenylcarbazol-2-amine;N-(5-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N,9-diphenylcarbazol-3-amine?

The canonical SMILES for N-(9,9-diphenylfluoren-2-yl)-N-phenylheptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-5-amine;N-(5-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N,9-diphenylcarbazol-2-amine;N-(5-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N,9-diphenylcarbazol-3-amine is c1ccc(N(c2ccc3c(c2)-c2cccc4c2C32c3ccccc3-c3cccc-4c32)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1.c1ccc(N(c2ccc3c(c2)-c2cccc4c2C32c3ccccc3-c3cccc-4c32)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.c1ccc(N(c2ccc3c(c2)-c2cccc4c2C32c3ccccc3-c3cccc-4c32)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1.

What is the InChIKey of N-(9,9-diphenylfluoren-2-yl)-N-phenylheptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-5-amine;N-(5-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N,9-diphenylcarbazol-2-amine;N-(5-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N,9-diphenylcarbazol-3-amine?

The InChIKey is NRBAGXWEYUTNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35N.2C49H30N2/c1-4-16-36(17-5-1)55(37-18-6-2-7-19-37)49-28-12-10-22-41(49)43-32-30-40(35-52(43)55)57(38-20-8-3-9-21-38)39-31-33-51-48(34-39)47-27-15-26-46-45-25-14-24-44-42-23-11-13-29-50(42)56(51,53(44)45)54(46)47;1-3-13-31(14-4-1)50(34-25-27-37-36-18-8-10-24-45(36)51(46(37)30-34)32-15-5-2-6-16-32)33-26-28-44-42(29-33)41-22-12-21-40-39-20-11-19-38-35-17-7-9-23-43(35)49(44,47(38)39)48(40)41;1-3-13-31(14-4-1)50(34-26-28-46-42(30-34)36-18-8-10-24-45(36)51(46)32-15-5-2-6-16-32)33-25-27-44-41(29-33)40-22-12-21-39-38-20-11-19-37-35-17-7-9-23-43(35)49(44,47(37)38)48(39)40/h1-35H;2*1-30H.

What are the key properties of N-(9,9-diphenylfluoren-2-yl)-N-phenylheptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-5-amine;N-(5-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N,9-diphenylcarbazol-2-amine;N-(5-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N,9-diphenylcarbazol-3-amine?

N-(9,9-diphenylfluoren-2-yl)-N-phenylheptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-5-amine;N-(5-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N,9-diphenylcarbazol-2-amine;N-(5-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N,9-diphenylcarbazol-3-amine has a molecular weight of 2015.49 g/mol, XLogP of 39.00, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9-diphenylfluoren-2-yl)-N-phenylheptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-5-amine;N-(5-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N,9-diphenylcarbazol-2-amine;N-(5-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N,9-diphenylcarbazol-3-amine is sourced from PubChem (CID 159860260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).