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

C142H114N4 — CID 160894780

IUPACN-(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
SMILESc1cc(N(c2ccc3c(c2)-c2ccccc2C32C3CC4CC(C3)CC2C4)c2cccc3ccccc23)cc(-n2c3ccccc3c3ccccc32)c1.c1ccc2c(c1)-c1cc(N(c3ccc4c(ccc5ccccc54)c3)c3cccc4ccccc34)ccc1C21C2CC3CC(C2)CC1C3.c1ccc2c(c1)-c1cc(N(c3cccc4ccccc34)c3cc4ccccc4c4ccccc34)ccc1C21C2CC3CC(C2)CC1C3
InChIInChI=1S/C50H40N2.2C46H37N/c1-2-15-40-34(11-1)12-9-22-47(40)51(37-13-10-14-38(30-37)52-48-20-7-4-17-42(48)43-18-5-8-21-49(43)52)39-23-24-46-44(31-39)41-16-3-6-19-45(41)50(46)35-26-32-25-33(28-35)29-36(50)27-32;1-4-14-37-31(10-1)12-9-19-44(37)47(45-27-32-11-2-3-13-36(32)38-15-5-6-17-40(38)45)35-20-21-43-41(28-35)39-16-7-8-18-42(39)46(43)33-23-29-22-30(25-33)26-34(46)24-29;1-3-11-38-32(9-1)16-17-33-27-36(18-20-39(33)38)47(45-15-7-10-31-8-2-4-12-40(31)45)37-19-21-44-42(28-37)41-13-5-6-14-43(41)46(44)34-23-29-22-30(25-34)26-35(46)24-29/h1-24,30-33,35-36H,25-29H2;1-21,27-30,33-34H,22-26H2;1-21,27-30,34-35H,22-26H2
InChIKeySOSMRYSOJSMCPE-UHFFFAOYSA-N
MW1876.50 g/mol
LogP37.81
Rot. Bonds10

About 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

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 (PubChem CID 160894780) has the molecular formula C142H114N4 and a molecular weight of 1876.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID160894780
Molecular FormulaC142H114N4
Molecular Weight1876.50 g/mol
Exact Mass1874.90
IUPAC NameN-(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
SMILESc1cc(N(c2ccc3c(c2)-c2ccccc2C32C3CC4CC(C3)CC2C4)c2cccc3ccccc23)cc(-n2c3ccccc3c3ccccc32)c1.c1ccc2c(c1)-c1cc(N(c3ccc4c(ccc5ccccc54)c3)c3cccc4ccccc34)ccc1C21C2CC3CC(C2)CC1C3.c1ccc2c(c1)-c1cc(N(c3cccc4ccccc34)c3cc4ccccc4c4ccccc34)ccc1C21C2CC3CC(C2)CC1C3
InChIInChI=1S/C50H40N2.2C46H37N/c1-2-15-40-34(11-1)12-9-22-47(40)51(37-13-10-14-38(30-37)52-48-20-7-4-17-42(48)43-18-5-8-21-49(43)52)39-23-24-46-44(31-39)41-16-3-6-19-45(41)50(46)35-26-32-25-33(28-35)29-36(50)27-32;1-4-14-37-31(10-1)12-9-19-44(37)47(45-27-32-11-2-3-13-36(32)38-15-5-6-17-40(38)45)35-20-21-43-41(28-35)39-16-7-8-18-42(39)46(43)33-23-29-22-30(25-33)26-34(46)24-29;1-3-11-38-32(9-1)16-17-33-27-36(18-20-39(33)38)47(45-15-7-10-31-8-2-4-12-40(31)45)37-19-21-44-42(28-37)41-13-5-6-14-43(41)46(44)34-23-29-22-30(25-34)26-35(46)24-29/h1-24,30-33,35-36H,25-29H2;1-21,27-30,33-34H,22-26H2;1-21,27-30,34-35H,22-26H2
InChIKeySOSMRYSOJSMCPE-UHFFFAOYSA-N
XLogP37.81
TPSA14.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms146
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001876.50
LogP ≤ 537.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
N-(3-carbazol-9-ylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)naphthalen-2-amine
CID 156568213
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,9-diphenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine
CID 156568137
N-phenanthren-9-yl-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156573590
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-naphthalen-1-ylspiro[adamantane-2,9'-fluorene]-4'-amine;N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-4'-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(3-phenylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine;N-(4-carbazol-9-ylphenyl)-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine
CID 160999297
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-naphthalen-2-yl-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)phenanthren-9-amine
CID 156567366
N-phenanthren-2-yl-N-[4-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156567832
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
9-phenyl-N-(2-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)carbazol-3-amine
CID 156573696
N-(4-naphthalen-2-ylphenyl)-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine
CID 156573561

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1cc(N(c2ccc3c(c2)-c2ccccc2C32C3CC4CC(C3)CC2C4)c2cccc3ccccc23)cc(-n2c3ccccc3c3ccccc32)c1.c1ccc2c(c1)-c1cc(N(c3ccc4c(ccc5ccccc54)c3)c3cccc4ccccc34)ccc1C21C2CC3CC(C2)CC1C3.c1ccc2c(c1)-c1cc(N(c3cccc4ccccc34)c3cc4ccccc4c4ccccc34)ccc1C21C2CC3CC(C2)CC1C3.
What is the InChIKey of 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?
The InChIKey is SOSMRYSOJSMCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H40N2.2C46H37N/c1-2-15-40-34(11-1)12-9-22-47(40)51(37-13-10-14-38(30-37)52-48-20-7-4-17-42(48)43-18-5-8-21-49(43)52)39-23-24-46-44(31-39)41-16-3-6-19-45(41)50(46)35-26-32-25-33(28-35)29-36(50)27-32;1-4-14-37-31(10-1)12-9-19-44(37)47(45-27-32-11-2-3-13-36(32)38-15-5-6-17-40(38)45)35-20-21-43-41(28-35)39-16-7-8-18-42(39)46(43)33-23-29-22-30(25-33)26-34(46)24-29;1-3-11-38-32(9-1)16-17-33-27-36(18-20-39(33)38)47(45-15-7-10-31-8-2-4-12-40(31)45)37-19-21-44-42(28-37)41-13-5-6-14-43(41)46(44)34-23-29-22-30(25-34)26-35(46)24-29/h1-24,30-33,35-36H,25-29H2;1-21,27-30,33-34H,22-26H2;1-21,27-30,34-35H,22-26H2.
What are the key properties of 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?
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 has a molecular weight of 1876.50 g/mol, XLogP of 37.81, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160894780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).