N-(16-phenyl-5-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine

C63H39NO — CID 166031994

IUPACN-(16-phenyl-5-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine
SMILESc1ccc(-c2ccc(N(c3cccc4c3-c3ccccc3C43c4ccccc4Oc4ccccc43)c3cccc4cc5c(cc34)-c3cc4ccc(-c6ccccc6)cc4cc3-5)cc2)cc1
InChIInChI=1S/C63H39NO/c1-3-15-40(16-4-1)42-31-33-47(34-32-42)64(58-25-13-19-45-37-51-52-38-46-35-43(41-17-5-2-6-18-41)29-30-44(46)36-50(52)53(51)39-49(45)58)59-26-14-24-57-62(59)48-20-7-8-21-54(48)63(57)55-22-9-11-27-60(55)65-61-28-12-10-23-56(61)63/h1-39H
InChIKeyLMLCUERSNKDCBG-UHFFFAOYSA-N
MW826.01 g/mol
LogP16.91
Rot. Bonds5

About N-(16-phenyl-5-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine

N-(16-phenyl-5-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine (PubChem CID 166031994) has the molecular formula C63H39NO and a molecular weight of 826.01 g/mol. Its IUPAC name is N-(16-phenyl-5-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine.

Molecular Properties

Compound NameN-(16-phenyl-5-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine
PubChem CID166031994
Molecular FormulaC63H39NO
Molecular Weight826.01 g/mol
Exact Mass825.30
IUPAC NameN-(16-phenyl-5-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine
SMILESc1ccc(-c2ccc(N(c3cccc4c3-c3ccccc3C43c4ccccc4Oc4ccccc43)c3cccc4cc5c(cc34)-c3cc4ccc(-c6ccccc6)cc4cc3-5)cc2)cc1
InChIInChI=1S/C63H39NO/c1-3-15-40(16-4-1)42-31-33-47(34-32-42)64(58-25-13-19-45-37-51-52-38-46-35-43(41-17-5-2-6-18-41)29-30-44(46)36-50(52)53(51)39-49(45)58)59-26-14-24-57-62(59)48-20-7-8-21-54(48)63(57)55-22-9-11-27-60(55)65-61-28-12-10-23-56(61)63/h1-39H
InChIKeyLMLCUERSNKDCBG-UHFFFAOYSA-N
XLogP16.91
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500826.01
LogP ≤ 516.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(16-phenyl-5-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine with MolForge

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Related Compounds

N-(16-phenyl-5-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 166033003
N-[4-(3-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-4-amine;N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-4-amine;N-(3-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-4-amine
CID 159195923
N-phenyl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-amine
CID 139355134
N-(6-phenylnaphthalen-2-yl)-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138475982
N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[benzo[b]fluorene-11,9'-xanthene]-3-amine
CID 138477870
N-[4-(4-phenylphenyl)phenyl]-N-(2-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine
CID 138477697
N-phenanthren-2-yl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-4-amine
CID 170117119
N-(9,9-diphenylfluoren-4-yl)-16-phenyl-N-(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2,4,6,8,10,13,15,17,19-decaen-3-amine
CID 166032156
N-(2-phenylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine;N-(3-phenylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine;N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine
CID 160562558
N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[benzo[b]fluorene-11,9'-xanthene]-3-amine
CID 138477050
N-[4-(4-phenylphenyl)phenyl]-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine;N-(3-phenylphenyl)-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine;N-(4-phenylphenyl)-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine
CID 158045243
N-(9,9-diphenylfluoren-4-yl)-N-(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaen-6-amine
CID 166031981

Frequently Asked Questions

What is the IUPAC name of N-(16-phenyl-5-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine?
The IUPAC name of N-(16-phenyl-5-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine (CID 166031994) is N-(16-phenyl-5-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine.
What is the SMILES notation for N-(16-phenyl-5-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine?
The canonical SMILES for N-(16-phenyl-5-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine is c1ccc(-c2ccc(N(c3cccc4c3-c3ccccc3C43c4ccccc4Oc4ccccc43)c3cccc4cc5c(cc34)-c3cc4ccc(-c6ccccc6)cc4cc3-5)cc2)cc1.
What is the InChIKey of N-(16-phenyl-5-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine?
The InChIKey is LMLCUERSNKDCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H39NO/c1-3-15-40(16-4-1)42-31-33-47(34-32-42)64(58-25-13-19-45-37-51-52-38-46-35-43(41-17-5-2-6-18-41)29-30-44(46)36-50(52)53(51)39-49(45)58)59-26-14-24-57-62(59)48-20-7-8-21-54(48)63(57)55-22-9-11-27-60(55)65-61-28-12-10-23-56(61)63/h1-39H.
What are the key properties of N-(16-phenyl-5-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine?
N-(16-phenyl-5-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine has a molecular weight of 826.01 g/mol, XLogP of 16.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(16-phenyl-5-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine is sourced from PubChem (CID 166031994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).