N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(3-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,2'-adamantane]-10-amine

C64H49N3 — CID 158256147

IUPACN-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(3-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,2'-adamantane]-10-amine
SMILESc1ccc(-c2cccc(N(c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)c3cc4c5c(c3)c3ccccc3n5-c3ccccc3C43C4CC5CC(C4)CC3C5)c2)cc1
InChIInChI=1S/C64H49N3/c1-2-13-43(14-3-1)46-15-12-16-51(38-46)65(49-29-25-44(26-30-49)45-27-31-50(32-28-45)66-59-21-8-4-17-53(59)54-18-5-9-22-60(54)66)52-39-56-55-19-6-10-23-61(55)67-62-24-11-7-20-57(62)64(58(40-52)63(56)67)47-34-41-33-42(36-47)37-48(64)35-41/h1-32,38-42,47-48H,33-37H2
InChIKeyFMOZWMVAFSXAPN-UHFFFAOYSA-N
MW860.12 g/mol
LogP16.74
Rot. Bonds6

About N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(3-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,2'-adamantane]-10-amine

N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(3-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,2'-adamantane]-10-amine (PubChem CID 158256147) has the molecular formula C64H49N3 and a molecular weight of 860.12 g/mol. Its IUPAC name is N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(3-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,2'-adamantane]-10-amine.

Molecular Properties

Compound NameN-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(3-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,2'-adamantane]-10-amine
PubChem CID158256147
Molecular FormulaC64H49N3
Molecular Weight860.12 g/mol
Exact Mass859.39
IUPAC NameN-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(3-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,2'-adamantane]-10-amine
SMILESc1ccc(-c2cccc(N(c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)c3cc4c5c(c3)c3ccccc3n5-c3ccccc3C43C4CC5CC(C4)CC3C5)c2)cc1
InChIInChI=1S/C64H49N3/c1-2-13-43(14-3-1)46-15-12-16-51(38-46)65(49-29-25-44(26-30-49)45-27-31-50(32-28-45)66-59-21-8-4-17-53(59)54-18-5-9-22-60(54)66)52-39-56-55-19-6-10-23-61(55)67-62-24-11-7-20-57(62)64(58(40-52)63(56)67)47-34-41-33-42(36-47)37-48(64)35-41/h1-32,38-42,47-48H,33-37H2
InChIKeyFMOZWMVAFSXAPN-UHFFFAOYSA-N
XLogP16.74
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500860.12
LogP ≤ 516.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(3-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,2'-adamantane]-10-amine with MolForge

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Related Compounds

N-(4-carbazol-9-ylphenyl)-N-naphthalen-1-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,2'-adamantane]-10-amine;N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,2'-adamantane]-10-amine;N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,2'-adamantane]-10-amine;N-(4-naphthalen-1-ylphenyl)-N-(3-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,2'-adamantane]-10-ylphenyl)naphthalen-1-amine
CID 159488322
CID 159039073
CID 159039073
N-(3-dibenzofuran-4-ylphenyl)-N-(2-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,2'-adamantane]-10-amine
CID 158198102
N-[4-(3-carbazol-9-ylphenyl)phenyl]-10',10'-dioxo-N-(3-phenylphenyl)spiro[adamantane-2,9'-thioxanthene]-3'-amine
CID 158173970
N-(4-carbazol-9-ylphenyl)-N-naphthalen-1-ylspiro[adamantane-2,9'-xanthene]-2'-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-naphthalen-1-ylspiro[adamantane-2,9'-xanthene]-2'-amine;N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)spiro[adamantane-2,9'-xanthene]-2'-amine
CID 161459182
9-phenyl-N,N-bis(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine
CID 156568218
N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[4-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)phenyl]carbazol-2-amine
CID 155399565
N-(4-carbazol-9-ylphenyl)-3-phenyl-N-(3-phenylphenyl)aniline
CID 121312722
CID 161255941
CID 161255941
N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-(6'-phenylspiro[adamantane-2,9'-fluorene]-3'-yl)carbazol-2-amine
CID 170085971
N-(4-naphthalen-2-ylphenyl)-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine
CID 156573561
9-phenyl-N-(2-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)carbazol-3-amine
CID 156573696

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(3-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,2'-adamantane]-10-amine?
The IUPAC name of N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(3-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,2'-adamantane]-10-amine (CID 158256147) is N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(3-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,2'-adamantane]-10-amine.
What is the SMILES notation for N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(3-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,2'-adamantane]-10-amine?
The canonical SMILES for N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(3-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,2'-adamantane]-10-amine is c1ccc(-c2cccc(N(c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)c3cc4c5c(c3)c3ccccc3n5-c3ccccc3C43C4CC5CC(C4)CC3C5)c2)cc1.
What is the InChIKey of N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(3-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,2'-adamantane]-10-amine?
The InChIKey is FMOZWMVAFSXAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H49N3/c1-2-13-43(14-3-1)46-15-12-16-51(38-46)65(49-29-25-44(26-30-49)45-27-31-50(32-28-45)66-59-21-8-4-17-53(59)54-18-5-9-22-60(54)66)52-39-56-55-19-6-10-23-61(55)67-62-24-11-7-20-57(62)64(58(40-52)63(56)67)47-34-41-33-42(36-47)37-48(64)35-41/h1-32,38-42,47-48H,33-37H2.
What are the key properties of N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(3-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,2'-adamantane]-10-amine?
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(3-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,2'-adamantane]-10-amine has a molecular weight of 860.12 g/mol, XLogP of 16.74, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(3-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,2'-adamantane]-10-amine is sourced from PubChem (CID 158256147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).