4-(9,9-dimethylfluoren-2-yl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(22),2(7),3,5,9,11,13,15(23),16,18,20-undecaene;4-(3,5-diphenylphenyl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(22),2(7),3,5,9,11,13,15(23),16,18,20-undecaene;4-(3-phenylphenyl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(22),2(7),3,5,9,11,13,15(23),16,18,20-undecaene;4-(4-propan-2-ylphenyl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(22),2(7),3,5,9,11,13,15(23),16,18,20-undecaene

C142H94N4 — CID 158495806

About 4-(9,9-dimethylfluoren-2-yl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(22),2(7),3,5,9,11,13,15(23),16,18,20-undecaene;4-(3,5-diphenylphenyl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(22),2(7),3,5,9,11,13,15(23),16,18,20-undecaene;4-(3-phenylphenyl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(22),2(7),3,5,9,11,13,15(23),16,18,20-undecaene;4-(4-propan-2-ylphenyl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(22),2(7),3,5,9,11,13,15(23),16,18,20-undecaene

4-(9,9-dimethylfluoren-2-yl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(22),2(7),3,5,9,11,13,15(23),16,18,20-undecaene;4-(3,5-diphenylphenyl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(22),2(7),3,5,9,11,13,15(23),16,18,20-undecaene;4-(3-phenylphenyl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(22),2(7),3,5,9,11,13,15(23),16,18,20-undecaene;4-(4-propan-2-ylphenyl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(22),2(7),3,5,9,11,13,15(23),16,18,20-undecaene (PubChem CID 158495806) has the molecular formula C142H94N4 and a molecular weight of 1856.34 g/mol. Its IUPAC name is 4-(9,9-dimethylfluoren-2-yl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(22),2(7),3,5,9,11,13,15(23),16,18,20-undecaene;4-(3,5-diphenylphenyl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(22),2(7),3,5,9,11,13,15(23),16,18,20-undecaene;4-(3-phenylphenyl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(22),2(7),3,5,9,11,13,15(23),16,18,20-undecaene;4-(4-propan-2-ylphenyl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(22),2(7),3,5,9,11,13,15(23),16,18,20-undecaene.

Molecular Properties

• Compound Name: 4-(9,9-dimethylfluoren-2-yl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(22),2(7),3,5,9,11,13,15(23),16,18,20-undecaene;4-(3,5-diphenylphenyl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(22),2(7),3,5,9,11,13,15(23),16,18,20-undecaene;4-(3-phenylphenyl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(22),2(7),3,5,9,11,13,15(23),16,18,20-undecaene;4-(4-propan-2-ylphenyl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(22),2(7),3,5,9,11,13,15(23),16,18,20-undecaene
• PubChem CID: 158495806
• Molecular Formula: C142H94N4
• Molecular Weight: 1856.34 g/mol
• Exact Mass: 1854.75
• IUPAC Name: 4-(9,9-dimethylfluoren-2-yl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(22),2(7),3,5,9,11,13,15(23),16,18,20-undecaene;4-(3,5-diphenylphenyl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(22),2(7),3,5,9,11,13,15(23),16,18,20-undecaene;4-(3-phenylphenyl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(22),2(7),3,5,9,11,13,15(23),16,18,20-undecaene;4-(4-propan-2-ylphenyl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(22),2(7),3,5,9,11,13,15(23),16,18,20-undecaene
• SMILES: CC(C)c1ccc(-c2ccc3c(c2)c2cc4ccccc4c4c5ccccc5n3c24)cc1.CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3cc5ccccc5c5c6ccccc6n4c35)cc21.c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4c(c3)c3cc5ccccc5c5c6ccccc6n4c35)c2)cc1.c1ccc(-c2cccc(-c3ccc4c(c3)c3cc5ccccc5c5c6ccccc6n4c35)c2)cc1
• InChI: InChI=1S/C40H25N.C37H25N.C34H21N.C31H23N/c1-3-11-26(12-4-1)30-21-31(27-13-5-2-6-14-27)23-32(22-30)28-19-20-38-35(24-28)36-25-29-15-7-8-16-33(29)39-34-17-9-10-18-37(34)41(38)40(36)39;1-37(2)31-13-7-5-11-26(31)27-17-15-23(21-32(27)37)22-16-18-34-29(19-22)30-20-24-9-3-4-10-25(24)35-28-12-6-8-14-33(28)38(34)36(30)35;1-2-9-22(10-3-1)23-12-8-13-24(19-23)25-17-18-32-29(20-25)30-21-26-11-4-5-14-27(26)33-28-15-6-7-16-31(28)35(32)34(30)33;1-19(2)20-11-13-21(14-12-20)22-15-16-29-26(17-22)27-18-23-7-3-4-8-24(23)30-25-9-5-6-10-28(25)32(29)31(27)30/h1-25H;3-21H,1-2H3;1-21H;3-19H,1-2H3
• InChIKey: HJGRYCDVXACCEN-UHFFFAOYSA-N
• XLogP: 39.06
• TPSA: 17.64 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1856.34
LogP ≤ 5	39.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-(9,9-dimethylfluoren-2-yl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(22),2(7),3,5,9,11,13,15(23),16,18,20-undecaene;4-(3,5-diphenylphenyl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(22),2(7),3,5,9,11,13,15(23),16,18,20-undecaene;4-(3-phenylphenyl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(22),2(7),3,5,9,11,13,15(23),16,18,20-undecaene;4-(4-propan-2-ylphenyl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(22),2(7),3,5,9,11,13,15(23),16,18,20-undecaene?

The IUPAC name of 4-(9,9-dimethylfluoren-2-yl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(22),2(7),3,5,9,11,13,15(23),16,18,20-undecaene;4-(3,5-diphenylphenyl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(22),2(7),3,5,9,11,13,15(23),16,18,20-undecaene;4-(3-phenylphenyl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(22),2(7),3,5,9,11,13,15(23),16,18,20-undecaene;4-(4-propan-2-ylphenyl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(22),2(7),3,5,9,11,13,15(23),16,18,20-undecaene (CID 158495806) is 4-(9,9-dimethylfluoren-2-yl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(22),2(7),3,5,9,11,13,15(23),16,18,20-undecaene;4-(3,5-diphenylphenyl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(22),2(7),3,5,9,11,13,15(23),16,18,20-undecaene;4-(3-phenylphenyl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(22),2(7),3,5,9,11,13,15(23),16,18,20-undecaene;4-(4-propan-2-ylphenyl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(22),2(7),3,5,9,11,13,15(23),16,18,20-undecaene.

What is the SMILES notation for 4-(9,9-dimethylfluoren-2-yl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(22),2(7),3,5,9,11,13,15(23),16,18,20-undecaene;4-(3,5-diphenylphenyl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(22),2(7),3,5,9,11,13,15(23),16,18,20-undecaene;4-(3-phenylphenyl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(22),2(7),3,5,9,11,13,15(23),16,18,20-undecaene;4-(4-propan-2-ylphenyl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(22),2(7),3,5,9,11,13,15(23),16,18,20-undecaene?

The canonical SMILES for 4-(9,9-dimethylfluoren-2-yl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(22),2(7),3,5,9,11,13,15(23),16,18,20-undecaene;4-(3,5-diphenylphenyl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(22),2(7),3,5,9,11,13,15(23),16,18,20-undecaene;4-(3-phenylphenyl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(22),2(7),3,5,9,11,13,15(23),16,18,20-undecaene;4-(4-propan-2-ylphenyl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(22),2(7),3,5,9,11,13,15(23),16,18,20-undecaene is CC(C)c1ccc(-c2ccc3c(c2)c2cc4ccccc4c4c5ccccc5n3c24)cc1.CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3cc5ccccc5c5c6ccccc6n4c35)cc21.c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4c(c3)c3cc5ccccc5c5c6ccccc6n4c35)c2)cc1.c1ccc(-c2cccc(-c3ccc4c(c3)c3cc5ccccc5c5c6ccccc6n4c35)c2)cc1.

What is the InChIKey of 4-(9,9-dimethylfluoren-2-yl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(22),2(7),3,5,9,11,13,15(23),16,18,20-undecaene;4-(3,5-diphenylphenyl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(22),2(7),3,5,9,11,13,15(23),16,18,20-undecaene;4-(3-phenylphenyl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(22),2(7),3,5,9,11,13,15(23),16,18,20-undecaene;4-(4-propan-2-ylphenyl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(22),2(7),3,5,9,11,13,15(23),16,18,20-undecaene?

The InChIKey is HJGRYCDVXACCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25N.C37H25N.C34H21N.C31H23N/c1-3-11-26(12-4-1)30-21-31(27-13-5-2-6-14-27)23-32(22-30)28-19-20-38-35(24-28)36-25-29-15-7-8-16-33(29)39-34-17-9-10-18-37(34)41(38)40(36)39;1-37(2)31-13-7-5-11-26(31)27-17-15-23(21-32(27)37)22-16-18-34-29(19-22)30-20-24-9-3-4-10-25(24)35-28-12-6-8-14-33(28)38(34)36(30)35;1-2-9-22(10-3-1)23-12-8-13-24(19-23)25-17-18-32-29(20-25)30-21-26-11-4-5-14-27(26)33-28-15-6-7-16-31(28)35(32)34(30)33;1-19(2)20-11-13-21(14-12-20)22-15-16-29-26(17-22)27-18-23-7-3-4-8-24(23)30-25-9-5-6-10-28(25)32(29)31(27)30/h1-25H;3-21H,1-2H3;1-21H;3-19H,1-2H3.

What are the key properties of 4-(9,9-dimethylfluoren-2-yl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(22),2(7),3,5,9,11,13,15(23),16,18,20-undecaene;4-(3,5-diphenylphenyl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(22),2(7),3,5,9,11,13,15(23),16,18,20-undecaene;4-(3-phenylphenyl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(22),2(7),3,5,9,11,13,15(23),16,18,20-undecaene;4-(4-propan-2-ylphenyl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(22),2(7),3,5,9,11,13,15(23),16,18,20-undecaene?

4-(9,9-dimethylfluoren-2-yl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(22),2(7),3,5,9,11,13,15(23),16,18,20-undecaene;4-(3,5-diphenylphenyl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(22),2(7),3,5,9,11,13,15(23),16,18,20-undecaene;4-(3-phenylphenyl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(22),2(7),3,5,9,11,13,15(23),16,18,20-undecaene;4-(4-propan-2-ylphenyl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(22),2(7),3,5,9,11,13,15(23),16,18,20-undecaene has a molecular weight of 1856.34 g/mol, XLogP of 39.06, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(9,9-dimethylfluoren-2-yl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(22),2(7),3,5,9,11,13,15(23),16,18,20-undecaene;4-(3,5-diphenylphenyl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(22),2(7),3,5,9,11,13,15(23),16,18,20-undecaene;4-(3-phenylphenyl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(22),2(7),3,5,9,11,13,15(23),16,18,20-undecaene;4-(4-propan-2-ylphenyl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(22),2(7),3,5,9,11,13,15(23),16,18,20-undecaene is sourced from PubChem (CID 158495806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).