N-(3-carbazol-9-ylphenyl)-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine;N-phenanthren-2-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine;N-phenanthren-9-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine

C166H129N7 — CID 159036181

IUPACN-(3-carbazol-9-ylphenyl)-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine;N-phenanthren-2-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine;N-phenanthren-9-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine
SMILESc1ccc(-n2c3ccccc3c3cc(N(c4ccc5c(c4)-c4ccccc4C54C5CC6CC(C5)CC4C6)c4cc5ccccc5c5ccccc45)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(N(c4ccc5c(c4)-c4ccccc4C54C5CC6CC(C5)CC4C6)c4ccc5c(ccc6ccccc65)c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(N(c4cccc(-n5c6ccccc6c6ccccc65)c4)c4ccc5c(c4)-c4ccccc4C54C5CC6CC(C5)CC4C6)ccc32)cc1
InChIInChI=1S/C58H45N3.2C54H42N2/c1-2-13-41(14-3-1)60-56-24-11-7-20-49(56)51-36-45(26-28-57(51)60)59(42-15-12-16-43(34-42)61-54-22-9-5-18-47(54)48-19-6-10-23-55(48)61)44-25-27-53-50(35-44)46-17-4-8-21-52(46)58(53)39-30-37-29-38(32-39)33-40(58)31-37;1-2-11-40(12-3-1)56-52-17-9-7-15-47(52)49-33-43(22-25-53(49)56)55(41-20-23-45-37(31-41)19-18-36-10-4-5-13-44(36)45)42-21-24-51-48(32-42)46-14-6-8-16-50(46)54(51)38-27-34-26-35(29-38)30-39(54)28-34;1-2-13-39(14-3-1)56-51-21-11-9-19-46(51)48-33-41(23-25-52(48)56)55(53-31-36-12-4-5-15-42(36)43-16-6-7-18-45(43)53)40-22-24-50-47(32-40)44-17-8-10-20-49(44)54(50)37-27-34-26-35(29-37)30-38(54)28-34/h1-28,34-40H,29-33H2;1-25,31-35,38-39H,26-30H2;1-25,31-35,37-38H,26-30H2
InChIKeyJVMGREUKBSUEKO-UHFFFAOYSA-N
MW2221.91 g/mol
LogP43.64
Rot. Bonds13

About N-(3-carbazol-9-ylphenyl)-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine;N-phenanthren-2-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine;N-phenanthren-9-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine

N-(3-carbazol-9-ylphenyl)-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine;N-phenanthren-2-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine;N-phenanthren-9-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine (PubChem CID 159036181) has the molecular formula C166H129N7 and a molecular weight of 2221.91 g/mol. Its IUPAC name is N-(3-carbazol-9-ylphenyl)-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine;N-phenanthren-2-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine;N-phenanthren-9-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine.

Molecular Properties

Compound NameN-(3-carbazol-9-ylphenyl)-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine;N-phenanthren-2-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine;N-phenanthren-9-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine
PubChem CID159036181
Molecular FormulaC166H129N7
Molecular Weight2221.91 g/mol
Exact Mass2220.03
IUPAC NameN-(3-carbazol-9-ylphenyl)-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine;N-phenanthren-2-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine;N-phenanthren-9-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine
SMILESc1ccc(-n2c3ccccc3c3cc(N(c4ccc5c(c4)-c4ccccc4C54C5CC6CC(C5)CC4C6)c4cc5ccccc5c5ccccc45)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(N(c4ccc5c(c4)-c4ccccc4C54C5CC6CC(C5)CC4C6)c4ccc5c(ccc6ccccc65)c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(N(c4cccc(-n5c6ccccc6c6ccccc65)c4)c4ccc5c(c4)-c4ccccc4C54C5CC6CC(C5)CC4C6)ccc32)cc1
InChIInChI=1S/C58H45N3.2C54H42N2/c1-2-13-41(14-3-1)60-56-24-11-7-20-49(56)51-36-45(26-28-57(51)60)59(42-15-12-16-43(34-42)61-54-22-9-5-18-47(54)48-19-6-10-23-55(48)61)44-25-27-53-50(35-44)46-17-4-8-21-52(46)58(53)39-30-37-29-38(32-39)33-40(58)31-37;1-2-11-40(12-3-1)56-52-17-9-7-15-47(52)49-33-43(22-25-53(49)56)55(41-20-23-45-37(31-41)19-18-36-10-4-5-13-44(36)45)42-21-24-51-48(32-42)46-14-6-8-16-50(46)54(51)38-27-34-26-35(29-38)30-39(54)28-34;1-2-13-39(14-3-1)56-51-21-11-9-19-46(51)48-33-41(23-25-52(48)56)55(53-31-36-12-4-5-15-42(36)43-16-6-7-18-45(43)53)40-22-24-50-47(32-40)44-17-8-10-20-49(44)54(50)37-27-34-26-35(29-37)30-38(54)28-34/h1-28,34-40H,29-33H2;1-25,31-35,38-39H,26-30H2;1-25,31-35,37-38H,26-30H2
InChIKeyJVMGREUKBSUEKO-UHFFFAOYSA-N
XLogP43.64
TPSA29.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms173
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002221.91
LogP ≤ 543.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-(3-carbazol-9-ylphenyl)-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine;N-phenanthren-2-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine;N-phenanthren-9-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine with MolForge

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Related Compounds

N-(3-carbazol-9-ylphenyl)-N-naphthalen-1-ylspiro[adamantane-2,9'-fluorene]-3'-amine;N-naphthalen-1-yl-N-phenanthren-2-ylspiro[adamantane-2,9'-fluorene]-3'-amine;N-naphthalen-1-yl-N-phenanthren-9-ylspiro[adamantane-2,9'-fluorene]-3'-amine
CID 160894780
N,9-diphenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine
CID 156568137
N-(4-naphthalen-2-ylphenyl)-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine
CID 156573561
N-(3-carbazol-9-ylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)naphthalen-2-amine
CID 156568213
N-(2,4-diphenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)naphthalen-2-amine;N-naphthalen-2-yl-9-phenyl-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)carbazol-2-amine;N-naphthalen-2-yl-9-phenyl-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)carbazol-3-amine
CID 163855626
N-phenanthren-9-yl-N-(4-phenylphenyl)-7'-[7-(4-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylanilino)phenanthren-2-yl]spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156568027
N-phenanthren-9-yl-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156573590
N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-(6'-phenylspiro[adamantane-2,9'-fluorene]-3'-yl)carbazol-2-amine
CID 170085971
9-phenyl-N-(2-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)carbazol-3-amine
CID 156573696
N-phenanthren-2-yl-N-[4-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156567832
N-(3-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-5-spiro[adamantane-2,9'-fluorene]-3'-ylnaphthalen-1-amine;9-phenyl-N-(4-phenylphenyl)-N-(5-spiro[adamantane-2,9'-fluorene]-3'-ylnaphthalen-1-yl)carbazol-4-amine;9-phenyl-N-(4-phenylphenyl)-N-(8-spiro[adamantane-2,9'-fluorene]-3'-ylnaphthalen-1-yl)carbazol-4-amine
CID 159156453
N-(9H-fluoren-3-yl)-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazol-3-amine
CID 155399670

Frequently Asked Questions

What is the IUPAC name of N-(3-carbazol-9-ylphenyl)-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine;N-phenanthren-2-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine;N-phenanthren-9-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine?
The IUPAC name of N-(3-carbazol-9-ylphenyl)-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine;N-phenanthren-2-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine;N-phenanthren-9-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine (CID 159036181) is N-(3-carbazol-9-ylphenyl)-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine;N-phenanthren-2-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine;N-phenanthren-9-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine.
What is the SMILES notation for N-(3-carbazol-9-ylphenyl)-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine;N-phenanthren-2-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine;N-phenanthren-9-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine?
The canonical SMILES for N-(3-carbazol-9-ylphenyl)-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine;N-phenanthren-2-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine;N-phenanthren-9-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine is c1ccc(-n2c3ccccc3c3cc(N(c4ccc5c(c4)-c4ccccc4C54C5CC6CC(C5)CC4C6)c4cc5ccccc5c5ccccc45)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(N(c4ccc5c(c4)-c4ccccc4C54C5CC6CC(C5)CC4C6)c4ccc5c(ccc6ccccc65)c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(N(c4cccc(-n5c6ccccc6c6ccccc65)c4)c4ccc5c(c4)-c4ccccc4C54C5CC6CC(C5)CC4C6)ccc32)cc1.
What is the InChIKey of N-(3-carbazol-9-ylphenyl)-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine;N-phenanthren-2-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine;N-phenanthren-9-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine?
The InChIKey is JVMGREUKBSUEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H45N3.2C54H42N2/c1-2-13-41(14-3-1)60-56-24-11-7-20-49(56)51-36-45(26-28-57(51)60)59(42-15-12-16-43(34-42)61-54-22-9-5-18-47(54)48-19-6-10-23-55(48)61)44-25-27-53-50(35-44)46-17-4-8-21-52(46)58(53)39-30-37-29-38(32-39)33-40(58)31-37;1-2-11-40(12-3-1)56-52-17-9-7-15-47(52)49-33-43(22-25-53(49)56)55(41-20-23-45-37(31-41)19-18-36-10-4-5-13-44(36)45)42-21-24-51-48(32-42)46-14-6-8-16-50(46)54(51)38-27-34-26-35(29-38)30-39(54)28-34;1-2-13-39(14-3-1)56-51-21-11-9-19-46(51)48-33-41(23-25-52(48)56)55(53-31-36-12-4-5-15-42(36)43-16-6-7-18-45(43)53)40-22-24-50-47(32-40)44-17-8-10-20-49(44)54(50)37-27-34-26-35(29-37)30-38(54)28-34/h1-28,34-40H,29-33H2;1-25,31-35,38-39H,26-30H2;1-25,31-35,37-38H,26-30H2.
What are the key properties of N-(3-carbazol-9-ylphenyl)-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine;N-phenanthren-2-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine;N-phenanthren-9-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine?
N-(3-carbazol-9-ylphenyl)-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine;N-phenanthren-2-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine;N-phenanthren-9-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine has a molecular weight of 2221.91 g/mol, XLogP of 43.64, 13 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbazol-9-ylphenyl)-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine;N-phenanthren-2-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine;N-phenanthren-9-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine is sourced from PubChem (CID 159036181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).