N,N-dinaphthalen-2-ylspiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,9'-fluorene]-19-amine

C51H31NO2 — CID 138582863

IUPACN,N-dinaphthalen-2-ylspiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,9'-fluorene]-19-amine
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc3c(cc21)Oc1cccc(N(c2ccc4ccccc4c2)c2ccc4ccccc4c2)c1O3
InChIInChI=1S/C51H31NO2/c1-3-14-34-28-36(26-24-32(34)12-1)52(37-27-25-33-13-2-4-15-35(33)29-37)46-22-11-23-47-50(46)54-48-30-41-40-18-7-10-21-44(40)51(45(41)31-49(48)53-47)42-19-8-5-16-38(42)39-17-6-9-20-43(39)51/h1-31H
InChIKeyRPYSBCPXFMHHDT-UHFFFAOYSA-N
MW689.81 g/mol
LogP13.70
Rot. Bonds3

About N,N-dinaphthalen-2-ylspiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,9'-fluorene]-19-amine

N,N-dinaphthalen-2-ylspiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,9'-fluorene]-19-amine (PubChem CID 138582863) has the molecular formula C51H31NO2 and a molecular weight of 689.81 g/mol. Its IUPAC name is N,N-dinaphthalen-2-ylspiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,9'-fluorene]-19-amine.

Molecular Properties

Compound NameN,N-dinaphthalen-2-ylspiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,9'-fluorene]-19-amine
PubChem CID138582863
Molecular FormulaC51H31NO2
Molecular Weight689.81 g/mol
Exact Mass689.24
IUPAC NameN,N-dinaphthalen-2-ylspiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,9'-fluorene]-19-amine
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc3c(cc21)Oc1cccc(N(c2ccc4ccccc4c2)c2ccc4ccccc4c2)c1O3
InChIInChI=1S/C51H31NO2/c1-3-14-34-28-36(26-24-32(34)12-1)52(37-27-25-33-13-2-4-15-35(33)29-37)46-22-11-23-47-50(46)54-48-30-41-40-18-7-10-21-44(40)51(45(41)31-49(48)53-47)42-19-8-5-16-38(42)39-17-6-9-20-43(39)51/h1-31H
InChIKeyRPYSBCPXFMHHDT-UHFFFAOYSA-N
XLogP13.70
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.81
LogP ≤ 513.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,N-dinaphthalen-2-ylspiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,9'-fluorene]-19-amine with MolForge

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Related Compounds

N-naphthalen-2-yl-N-phenylspiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-10,9'-fluorene]-18-amine
CID 138581655
N-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-amine
CID 138581435
4-N,4-N'-dinaphthalen-2-yl-4-N,4-N'-diphenylspiro[fluorene-9,9'-xanthene]-4,4'-diamine
CID 167178088
N-phenyl-N-[2-(4-phenylphenyl)phenyl]spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,9'-fluorene]-19-amine
CID 138582255
N-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,9'-fluorene]-19-amine
CID 138582243
N-(3,5-diphenylphenyl)-N-(2-phenylphenyl)spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,9'-fluorene]-16-amine
CID 138582582
N-naphthalen-2-yl-2',3'-diphenyl-N-(2-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 170240652
N-phenyl-N-[3-(2-phenylphenyl)phenyl]spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,10'-9H-anthracene]-19-amine
CID 138582612
N-naphthalen-1-yl-N-[4-(2-phenylphenyl)phenyl]spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-10,9'-fluorene]-17-amine
CID 138581305
N-(4-dibenzofuran-3-ylphenyl)-N-phenylspiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,9'-fluorene]-16-amine
CID 163919573
N-(4-dibenzofuran-4-ylphenyl)-N-phenylspiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,9'-fluorene]-19-amine
CID 138582786
N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[b]fluorene-11,9'-xanthene]-7-amine
CID 138476359

Frequently Asked Questions

What is the IUPAC name of N,N-dinaphthalen-2-ylspiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,9'-fluorene]-19-amine?
The IUPAC name of N,N-dinaphthalen-2-ylspiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,9'-fluorene]-19-amine (CID 138582863) is N,N-dinaphthalen-2-ylspiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,9'-fluorene]-19-amine.
What is the SMILES notation for N,N-dinaphthalen-2-ylspiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,9'-fluorene]-19-amine?
The canonical SMILES for N,N-dinaphthalen-2-ylspiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,9'-fluorene]-19-amine is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc3c(cc21)Oc1cccc(N(c2ccc4ccccc4c2)c2ccc4ccccc4c2)c1O3.
What is the InChIKey of N,N-dinaphthalen-2-ylspiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,9'-fluorene]-19-amine?
The InChIKey is RPYSBCPXFMHHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31NO2/c1-3-14-34-28-36(26-24-32(34)12-1)52(37-27-25-33-13-2-4-15-35(33)29-37)46-22-11-23-47-50(46)54-48-30-41-40-18-7-10-21-44(40)51(45(41)31-49(48)53-47)42-19-8-5-16-38(42)39-17-6-9-20-43(39)51/h1-31H.
What are the key properties of N,N-dinaphthalen-2-ylspiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,9'-fluorene]-19-amine?
N,N-dinaphthalen-2-ylspiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,9'-fluorene]-19-amine has a molecular weight of 689.81 g/mol, XLogP of 13.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dinaphthalen-2-ylspiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,9'-fluorene]-19-amine is sourced from PubChem (CID 138582863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).