N-(9,9-diphenylfluoren-2-yl)-3,14,14-trimethyl-N-phenyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine

C53H40N2O — CID 170656904

IUPACN-(9,9-diphenylfluoren-2-yl)-3,14,14-trimethyl-N-phenyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine
SMILESCc1cccc2c1N1c3ccccc3C(C)(C)c3cc(N(c4ccccc4)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc(c31)O2
InChIInChI=1S/C53H40N2O/c1-35-18-17-29-48-50(35)55-47-28-16-15-27-44(47)52(2,3)46-33-40(34-49(56-48)51(46)55)54(38-23-11-6-12-24-38)39-30-31-42-41-25-13-14-26-43(41)53(45(42)32-39,36-19-7-4-8-20-36)37-21-9-5-10-22-37/h4-34H,1-3H3
InChIKeyPVSRNGLMVZYXFH-UHFFFAOYSA-N
MW720.92 g/mol
LogP14.04
Rot. Bonds5

About N-(9,9-diphenylfluoren-2-yl)-3,14,14-trimethyl-N-phenyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine

N-(9,9-diphenylfluoren-2-yl)-3,14,14-trimethyl-N-phenyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine (PubChem CID 170656904) has the molecular formula C53H40N2O and a molecular weight of 720.92 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-2-yl)-3,14,14-trimethyl-N-phenyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-2-yl)-3,14,14-trimethyl-N-phenyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine
PubChem CID170656904
Molecular FormulaC53H40N2O
Molecular Weight720.92 g/mol
Exact Mass720.31
IUPAC NameN-(9,9-diphenylfluoren-2-yl)-3,14,14-trimethyl-N-phenyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine
SMILESCc1cccc2c1N1c3ccccc3C(C)(C)c3cc(N(c4ccccc4)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc(c31)O2
InChIInChI=1S/C53H40N2O/c1-35-18-17-29-48-50(35)55-47-28-16-15-27-44(47)52(2,3)46-33-40(34-49(56-48)51(46)55)54(38-23-11-6-12-24-38)39-30-31-42-41-25-13-14-26-43(41)53(45(42)32-39,36-19-7-4-8-20-36)37-21-9-5-10-22-37/h4-34H,1-3H3
InChIKeyPVSRNGLMVZYXFH-UHFFFAOYSA-N
XLogP14.04
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.92
LogP ≤ 514.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(9,9-diphenylfluoren-2-yl)-3,14,14-trimethyl-N-phenyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine with MolForge

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Related Compounds

14,14-dimethyl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-18-amine
CID 170656265
9,9-dimethyl-N-phenyl-N-[4-(3,14,14-trimethyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]fluoren-2-amine
CID 170656574
N,N-bis(9,9-dimethylfluoren-2-yl)-3,14,14-trimethyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-16-amine
CID 170656424
N,N-bis(4-phenylphenyl)-3-(3,14,14-trimethyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-17-yl)aniline
CID 170656188
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]xanthen-2-amine
CID 166679140
1-N,3-N,5-N-tris(9,9-diphenylfluoren-2-yl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 132601190
N-[4-[9-(9,9-diphenylfluoren-2-yl)fluoren-9-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 118004652
N-[4-(14,14-dimethyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-18-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 170656216
4-[9,9-dimethyl-2-(9-phenylfluoren-9-yl)acridin-10-yl]-N,N-diphenylaniline
CID 167214969
N-(9,9-dimethylfluoren-2-yl)-N,10-diphenylspiro[acridine-9,9'-fluorene]-2'-amine
CID 134309240
N-(9,9-diphenylfluoren-2-yl)-N-[3-methyl-4-(2-methylphenyl)phenyl]-9,9-diphenylfluoren-2-amine
CID 118298184
N-[4-(14,14-dimethyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-17-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 170657044

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-2-yl)-3,14,14-trimethyl-N-phenyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine?
The IUPAC name of N-(9,9-diphenylfluoren-2-yl)-3,14,14-trimethyl-N-phenyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine (CID 170656904) is N-(9,9-diphenylfluoren-2-yl)-3,14,14-trimethyl-N-phenyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-2-yl)-3,14,14-trimethyl-N-phenyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-2-yl)-3,14,14-trimethyl-N-phenyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine is Cc1cccc2c1N1c3ccccc3C(C)(C)c3cc(N(c4ccccc4)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc(c31)O2.
What is the InChIKey of N-(9,9-diphenylfluoren-2-yl)-3,14,14-trimethyl-N-phenyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine?
The InChIKey is PVSRNGLMVZYXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H40N2O/c1-35-18-17-29-48-50(35)55-47-28-16-15-27-44(47)52(2,3)46-33-40(34-49(56-48)51(46)55)54(38-23-11-6-12-24-38)39-30-31-42-41-25-13-14-26-43(41)53(45(42)32-39,36-19-7-4-8-20-36)37-21-9-5-10-22-37/h4-34H,1-3H3.
What are the key properties of N-(9,9-diphenylfluoren-2-yl)-3,14,14-trimethyl-N-phenyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine?
N-(9,9-diphenylfluoren-2-yl)-3,14,14-trimethyl-N-phenyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine has a molecular weight of 720.92 g/mol, XLogP of 14.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-2-yl)-3,14,14-trimethyl-N-phenyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine is sourced from PubChem (CID 170656904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).