N-(9,9-diphenylfluoren-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

C61H38N4O — CID 129124227

IUPACN-(9,9-diphenylfluoren-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
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(-c5nc6ccccc6c6c5ccc5c7ccccc7oc56)cc4)c4ccc5c6ccccc6nn5c4)cc32)cc1
InChIInChI=1S/C61H38N4O/c1-3-15-40(16-4-1)61(41-17-5-2-6-18-41)52-23-11-7-19-45(52)46-33-31-43(37-53(46)61)65(44-32-36-56-49-21-8-13-25-55(49)63-64(56)38-44)42-29-27-39(28-30-42)59-51-35-34-48-47-20-10-14-26-57(47)66-60(48)58(51)50-22-9-12-24-54(50)62-59/h1-38H
InChIKeyBLPABCDASQVSTD-UHFFFAOYSA-N
MW843.00 g/mol
LogP15.59
Rot. Bonds6

About N-(9,9-diphenylfluoren-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-diphenylfluoren-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 129124227) has the molecular formula C61H38N4O and a molecular weight of 843.00 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-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-diphenylfluoren-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 CID129124227
Molecular FormulaC61H38N4O
Molecular Weight843.00 g/mol
Exact Mass842.30
IUPAC NameN-(9,9-diphenylfluoren-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
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(-c5nc6ccccc6c6c5ccc5c7ccccc7oc56)cc4)c4ccc5c6ccccc6nn5c4)cc32)cc1
InChIInChI=1S/C61H38N4O/c1-3-15-40(16-4-1)61(41-17-5-2-6-18-41)52-23-11-7-19-45(52)46-33-31-43(37-53(46)61)65(44-32-36-56-49-21-8-13-25-55(49)63-64(56)38-44)42-29-27-39(28-30-42)59-51-35-34-48-47-20-10-14-26-57(47)66-60(48)58(51)50-22-9-12-24-54(50)62-59/h1-38H
InChIKeyBLPABCDASQVSTD-UHFFFAOYSA-N
XLogP15.59
TPSA46.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500843.00
LogP ≤ 515.59
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-diphenylfluoren-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-diphenylfluoren-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-diphenylfluoren-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 129124227) is N-(9,9-diphenylfluoren-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-diphenylfluoren-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-diphenylfluoren-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 c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(-c5nc6ccccc6c6c5ccc5c7ccccc7oc56)cc4)c4ccc5c6ccccc6nn5c4)cc32)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-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 BLPABCDASQVSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H38N4O/c1-3-15-40(16-4-1)61(41-17-5-2-6-18-41)52-23-11-7-19-45(52)46-33-31-43(37-53(46)61)65(44-32-36-56-49-21-8-13-25-55(49)63-64(56)38-44)42-29-27-39(28-30-42)59-51-35-34-48-47-20-10-14-26-57(47)66-60(48)58(51)50-22-9-12-24-54(50)62-59/h1-38H.
What are the key properties of N-(9,9-diphenylfluoren-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-diphenylfluoren-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 843.00 g/mol, XLogP of 15.59, 6 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-[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 129124227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).