7-N',7-N',17-N',17-N'-tetraphenylspiro[adamantane-2,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine

C54H44N2 — CID 162698352

IUPAC7-N',7-N',17-N',17-N'-tetraphenylspiro[adamantane-2,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc3cc4c(cc3c2)C2(c3cc5cc(N(c6ccccc6)c6ccccc6)ccc5cc3-4)C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C54H44N2/c1-5-13-44(14-6-1)55(45-15-7-2-8-16-45)48-23-21-38-32-50-51-33-39-22-24-49(56(46-17-9-3-10-18-46)47-19-11-4-12-20-47)31-41(39)35-53(51)54(52(50)34-40(38)30-48)42-26-36-25-37(28-42)29-43(54)27-36/h1-24,30-37,42-43H,25-29H2
InChIKeyFXRRVKVZFYWFOT-UHFFFAOYSA-N
MW720.96 g/mol
LogP14.66
Rot. Bonds6

About 7-N',7-N',17-N',17-N'-tetraphenylspiro[adamantane-2,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine

7-N',7-N',17-N',17-N'-tetraphenylspiro[adamantane-2,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine (PubChem CID 162698352) has the molecular formula C54H44N2 and a molecular weight of 720.96 g/mol. Its IUPAC name is 7-N',7-N',17-N',17-N'-tetraphenylspiro[adamantane-2,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine.

Molecular Properties

Compound Name7-N',7-N',17-N',17-N'-tetraphenylspiro[adamantane-2,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine
PubChem CID162698352
Molecular FormulaC54H44N2
Molecular Weight720.96 g/mol
Exact Mass720.35
IUPAC Name7-N',7-N',17-N',17-N'-tetraphenylspiro[adamantane-2,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc3cc4c(cc3c2)C2(c3cc5cc(N(c6ccccc6)c6ccccc6)ccc5cc3-4)C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C54H44N2/c1-5-13-44(14-6-1)55(45-15-7-2-8-16-45)48-23-21-38-32-50-51-33-39-22-24-49(56(46-17-9-3-10-18-46)47-19-11-4-12-20-47)31-41(39)35-53(51)54(52(50)34-40(38)30-48)42-26-36-25-37(28-42)29-43(54)27-36/h1-24,30-37,42-43H,25-29H2
InChIKeyFXRRVKVZFYWFOT-UHFFFAOYSA-N
XLogP14.66
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.96
LogP ≤ 514.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-N',7-N',17-N',17-N'-tetraphenylspiro[adamantane-2,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine with MolForge

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Related Compounds

8-N,18-N-dinaphthalen-2-yl-8-N,18-N-diphenylspiro[2-thiapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,2'-adamantane]-8,18-diamine
CID 162698406
N-phenanthren-2-yl-N-phenylspiro[adamantane-2,9'-fluorene]-2'-amine
CID 155399590
N-phenyl-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 155393636
N-phenyl-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156567704
N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-3'-amine
CID 156567514
N-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156567511
2,4-diphenyl-6-spiro[adamantane-2,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-yl-1,3,5-triazine
CID 167353589
N-phenanthren-2-yl-N-[4-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156567832
N-phenanthren-2-yl-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 155393603
N-naphthalen-2-yl-N-phenylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-4-amine
CID 167056455
N-phenyl-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-2'-amine
CID 168722611
N-naphthalen-2-yl-N-(4-phenanthren-2-ylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156567778

Frequently Asked Questions

What is the IUPAC name of 7-N',7-N',17-N',17-N'-tetraphenylspiro[adamantane-2,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine?
The IUPAC name of 7-N',7-N',17-N',17-N'-tetraphenylspiro[adamantane-2,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine (CID 162698352) is 7-N',7-N',17-N',17-N'-tetraphenylspiro[adamantane-2,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine.
What is the SMILES notation for 7-N',7-N',17-N',17-N'-tetraphenylspiro[adamantane-2,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine?
The canonical SMILES for 7-N',7-N',17-N',17-N'-tetraphenylspiro[adamantane-2,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine is c1ccc(N(c2ccccc2)c2ccc3cc4c(cc3c2)C2(c3cc5cc(N(c6ccccc6)c6ccccc6)ccc5cc3-4)C3CC4CC(C3)CC2C4)cc1.
What is the InChIKey of 7-N',7-N',17-N',17-N'-tetraphenylspiro[adamantane-2,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine?
The InChIKey is FXRRVKVZFYWFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H44N2/c1-5-13-44(14-6-1)55(45-15-7-2-8-16-45)48-23-21-38-32-50-51-33-39-22-24-49(56(46-17-9-3-10-18-46)47-19-11-4-12-20-47)31-41(39)35-53(51)54(52(50)34-40(38)30-48)42-26-36-25-37(28-42)29-43(54)27-36/h1-24,30-37,42-43H,25-29H2.
What are the key properties of 7-N',7-N',17-N',17-N'-tetraphenylspiro[adamantane-2,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine?
7-N',7-N',17-N',17-N'-tetraphenylspiro[adamantane-2,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine has a molecular weight of 720.96 g/mol, XLogP of 14.66, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N',7-N',17-N',17-N'-tetraphenylspiro[adamantane-2,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine is sourced from PubChem (CID 162698352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).