N,19-diphenyl-N-(9,9'-spirobi[fluorene]-2-yl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-amine

C57H35NO — CID 171433025

IUPACN,19-diphenyl-N-(9,9'-spirobi[fluorene]-2-yl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-amine
SMILESc1ccc(-c2c(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)ccc3c2oc2c4ccccc4c4ccccc4c32)cc1
InChIInChI=1S/C57H35NO/c1-3-17-36(18-4-1)53-52(34-33-47-54-45-26-9-7-21-39(45)40-22-8-10-27-46(40)55(54)59-56(47)53)58(37-19-5-2-6-20-37)38-31-32-44-43-25-13-16-30-50(43)57(51(44)35-38)48-28-14-11-23-41(48)42-24-12-15-29-49(42)57/h1-35H
InChIKeyAVNCNDPDFWMQIC-UHFFFAOYSA-N
MW749.91 g/mol
LogP15.37
Rot. Bonds4

About N,19-diphenyl-N-(9,9'-spirobi[fluorene]-2-yl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-amine

N,19-diphenyl-N-(9,9'-spirobi[fluorene]-2-yl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-amine (PubChem CID 171433025) has the molecular formula C57H35NO and a molecular weight of 749.91 g/mol. Its IUPAC name is N,19-diphenyl-N-(9,9'-spirobi[fluorene]-2-yl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-amine.

Molecular Properties

Compound NameN,19-diphenyl-N-(9,9'-spirobi[fluorene]-2-yl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-amine
PubChem CID171433025
Molecular FormulaC57H35NO
Molecular Weight749.91 g/mol
Exact Mass749.27
IUPAC NameN,19-diphenyl-N-(9,9'-spirobi[fluorene]-2-yl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-amine
SMILESc1ccc(-c2c(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)ccc3c2oc2c4ccccc4c4ccccc4c32)cc1
InChIInChI=1S/C57H35NO/c1-3-17-36(18-4-1)53-52(34-33-47-54-45-26-9-7-21-39(45)40-22-8-10-27-46(40)55(54)59-56(47)53)58(37-19-5-2-6-20-37)38-31-32-44-43-25-13-16-30-50(43)57(51(44)35-38)48-28-14-11-23-41(48)42-24-12-15-29-49(42)57/h1-35H
InChIKeyAVNCNDPDFWMQIC-UHFFFAOYSA-N
XLogP15.37
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500749.91
LogP ≤ 515.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,19-diphenyl-N-(9,9'-spirobi[fluorene]-2-yl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-amine with MolForge

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Related Compounds

10-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-9-amine
CID 170675127
9,9-dimethyl-N-[4-(19-phenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 171433694
N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-19-phenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-amine
CID 171433326
4-naphthalen-2-yl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine
CID 135277308
N,N-bis(9,9-dimethylfluoren-2-yl)-19-naphthalen-2-yl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-amine
CID 171433314
N-naphthalen-2-yl-19-phenyl-N-(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-amine
CID 171433613
2-N,2-N'-diphenyl-2-N-(1-phenylnaphthalen-2-yl)-2-N'-[1-(4-phenylphenyl)naphthalen-2-yl]-9,9'-spirobi[fluorene]-2,2'-diamine
CID 176633832
N,8-bis(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-10-amine
CID 170675516
4-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine
CID 169022143
N-phenyl-N-[3-phenyl-2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 167293277
11-N',17-N'-dinaphthalen-1-yl-11-N',17-N'-diphenylspiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11',17'-diamine
CID 130262417
N-(2-dibenzofuran-3-yl-3-phenylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 167293276

Frequently Asked Questions

What is the IUPAC name of N,19-diphenyl-N-(9,9'-spirobi[fluorene]-2-yl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-amine?
The IUPAC name of N,19-diphenyl-N-(9,9'-spirobi[fluorene]-2-yl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-amine (CID 171433025) is N,19-diphenyl-N-(9,9'-spirobi[fluorene]-2-yl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-amine.
What is the SMILES notation for N,19-diphenyl-N-(9,9'-spirobi[fluorene]-2-yl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-amine?
The canonical SMILES for N,19-diphenyl-N-(9,9'-spirobi[fluorene]-2-yl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-amine is c1ccc(-c2c(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)ccc3c2oc2c4ccccc4c4ccccc4c32)cc1.
What is the InChIKey of N,19-diphenyl-N-(9,9'-spirobi[fluorene]-2-yl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-amine?
The InChIKey is AVNCNDPDFWMQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35NO/c1-3-17-36(18-4-1)53-52(34-33-47-54-45-26-9-7-21-39(45)40-22-8-10-27-46(40)55(54)59-56(47)53)58(37-19-5-2-6-20-37)38-31-32-44-43-25-13-16-30-50(43)57(51(44)35-38)48-28-14-11-23-41(48)42-24-12-15-29-49(42)57/h1-35H.
What are the key properties of N,19-diphenyl-N-(9,9'-spirobi[fluorene]-2-yl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-amine?
N,19-diphenyl-N-(9,9'-spirobi[fluorene]-2-yl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-amine has a molecular weight of 749.91 g/mol, XLogP of 15.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,19-diphenyl-N-(9,9'-spirobi[fluorene]-2-yl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-amine is sourced from PubChem (CID 171433025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).