N-(9,9-dimethylfluoren-2-yl)-N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]pyrido[1,2-b]indazol-8-amine

C51H34N4O — CID 129123816

IUPACN-(9,9-dimethylfluoren-2-yl)-N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]pyrido[1,2-b]indazol-8-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4nc5ccccc5c5c4ccc4c6ccccc6oc45)cc3)c3ccc4c5ccccc5nn4c3)cc21
InChIInChI=1S/C51H34N4O/c1-51(2)42-15-7-3-11-35(42)36-25-23-33(29-43(36)51)55(34-24-28-46-39-13-4-9-17-45(39)53-54(46)30-34)32-21-19-31(20-22-32)49-41-27-26-38-37-12-6-10-18-47(37)56-50(38)48(41)40-14-5-8-16-44(40)52-49/h3-30H,1-2H3
InChIKeyDXCUFBOTRBZSLI-UHFFFAOYSA-N
MW718.86 g/mol
LogP13.53
Rot. Bonds4

About N-(9,9-dimethylfluoren-2-yl)-N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]pyrido[1,2-b]indazol-8-amine

N-(9,9-dimethylfluoren-2-yl)-N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]pyrido[1,2-b]indazol-8-amine (PubChem CID 129123816) has the molecular formula C51H34N4O and a molecular weight of 718.86 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]pyrido[1,2-b]indazol-8-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]pyrido[1,2-b]indazol-8-amine
PubChem CID129123816
Molecular FormulaC51H34N4O
Molecular Weight718.86 g/mol
Exact Mass718.27
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]pyrido[1,2-b]indazol-8-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4nc5ccccc5c5c4ccc4c6ccccc6oc45)cc3)c3ccc4c5ccccc5nn4c3)cc21
InChIInChI=1S/C51H34N4O/c1-51(2)42-15-7-3-11-35(42)36-25-23-33(29-43(36)51)55(34-24-28-46-39-13-4-9-17-45(39)53-54(46)30-34)32-21-19-31(20-22-32)49-41-27-26-38-37-12-6-10-18-47(37)56-50(38)48(41)40-14-5-8-16-44(40)52-49/h3-30H,1-2H3
InChIKeyDXCUFBOTRBZSLI-UHFFFAOYSA-N
XLogP13.53
TPSA46.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.86
LogP ≤ 513.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(9,9-dimethylfluoren-2-yl)-N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]pyrido[1,2-b]indazol-8-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]pyrido[1,2-b]indazol-8-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]pyrido[1,2-b]indazol-8-amine (CID 129123816) is N-(9,9-dimethylfluoren-2-yl)-N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]pyrido[1,2-b]indazol-8-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]pyrido[1,2-b]indazol-8-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]pyrido[1,2-b]indazol-8-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4nc5ccccc5c5c4ccc4c6ccccc6oc45)cc3)c3ccc4c5ccccc5nn4c3)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]pyrido[1,2-b]indazol-8-amine?
The InChIKey is DXCUFBOTRBZSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N4O/c1-51(2)42-15-7-3-11-35(42)36-25-23-33(29-43(36)51)55(34-24-28-46-39-13-4-9-17-45(39)53-54(46)30-34)32-21-19-31(20-22-32)49-41-27-26-38-37-12-6-10-18-47(37)56-50(38)48(41)40-14-5-8-16-44(40)52-49/h3-30H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]pyrido[1,2-b]indazol-8-amine?
N-(9,9-dimethylfluoren-2-yl)-N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]pyrido[1,2-b]indazol-8-amine has a molecular weight of 718.86 g/mol, XLogP of 13.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-N-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]pyrido[1,2-b]indazol-8-amine is sourced from PubChem (CID 129123816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).