N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-(18-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaen-12-yl)fluoren-2-amine

C75H57N3O — CID 153201298

About N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-(18-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaen-12-yl)fluoren-2-amine

N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-(18-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaen-12-yl)fluoren-2-amine (PubChem CID 153201298) has the molecular formula C75H57N3O and a molecular weight of 1016.30 g/mol. Its IUPAC name is N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-(18-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaen-12-yl)fluoren-2-amine.

Molecular Properties

• Compound Name: N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-(18-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaen-12-yl)fluoren-2-amine
• PubChem CID: 153201298
• Molecular Formula: C75H57N3O
• Molecular Weight: 1016.30 g/mol
• Exact Mass: 1015.45
• IUPAC Name: N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-(18-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaen-12-yl)fluoren-2-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3cc(-n5c6ccccc6c6ccc7c8ccc9c%10ccccc%10n(-c%10ccccc%10)c9c8oc7c65)ccc3-4)c3ccc4c(c3)C(C)(C)C3C=CC=CC43)cc21
• InChI: InChI=1S/C75H57N3O/c1-73(2)61-24-14-10-20-49(61)51-32-28-45(40-63(51)73)76(46-29-33-52-50-21-11-15-25-62(50)74(3,4)64(52)41-46)47-30-34-53-54-35-31-48(43-66(54)75(5,6)65(53)42-47)78-68-27-17-13-23-56(68)58-37-39-60-59-38-36-57-55-22-12-16-26-67(55)77(44-18-8-7-9-19-44)69(57)71(59)79-72(60)70(58)78/h7-43,49,61H,1-6H3
• InChIKey: WJYWKLHBNHCQLC-UHFFFAOYSA-N
• XLogP: 19.98
• TPSA: 26.24 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1016.30
LogP ≤ 5	19.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-(18-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaen-12-yl)fluoren-2-amine?

The IUPAC name of N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-(18-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaen-12-yl)fluoren-2-amine (CID 153201298) is N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-(18-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaen-12-yl)fluoren-2-amine.

What is the SMILES notation for N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-(18-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaen-12-yl)fluoren-2-amine?

The canonical SMILES for N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-(18-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaen-12-yl)fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3cc(-n5c6ccccc6c6ccc7c8ccc9c%10ccccc%10n(-c%10ccccc%10)c9c8oc7c65)ccc3-4)c3ccc4c(c3)C(C)(C)C3C=CC=CC43)cc21.

What is the InChIKey of N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-(18-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaen-12-yl)fluoren-2-amine?

The InChIKey is WJYWKLHBNHCQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H57N3O/c1-73(2)61-24-14-10-20-49(61)51-32-28-45(40-63(51)73)76(46-29-33-52-50-21-11-15-25-62(50)74(3,4)64(52)41-46)47-30-34-53-54-35-31-48(43-66(54)75(5,6)65(53)42-47)78-68-27-17-13-23-56(68)58-37-39-60-59-38-36-57-55-22-12-16-26-67(55)77(44-18-8-7-9-19-44)69(57)71(59)79-72(60)70(58)78/h7-43,49,61H,1-6H3.

What are the key properties of N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-(18-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaen-12-yl)fluoren-2-amine?

N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-(18-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaen-12-yl)fluoren-2-amine has a molecular weight of 1016.30 g/mol, XLogP of 19.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-(18-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaen-12-yl)fluoren-2-amine is sourced from PubChem (CID 153201298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).