N-(9H-fluoren-3-yl)-9-phenyl-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-ylcarbazol-2-amine

C50H38N2 — CID 166508676

IUPACN-(9H-fluoren-3-yl)-9-phenyl-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-ylcarbazol-2-amine
SMILESc1ccc(-n2c3ccccc3c3ccc(N(c4ccc5c(c4)-c4ccccc4C5)c4cccc5c4-c4ccccc4C54CC5CCC4C5)cc32)cc1
InChIInChI=1S/C50H38N2/c1-2-12-36(13-3-1)52-46-19-9-7-15-40(46)41-26-25-38(30-48(41)52)51(37-24-22-34-28-33-11-4-5-14-39(33)43(34)29-37)47-20-10-18-45-49(47)42-16-6-8-17-44(42)50(45)31-32-21-23-35(50)27-32/h1-20,22,24-26,29-30,32,35H,21,23,27-28,31H2
InChIKeyZJQYNVLACCXDPJ-UHFFFAOYSA-N
MW666.87 g/mol
LogP12.91
Rot. Bonds4

About N-(9H-fluoren-3-yl)-9-phenyl-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-ylcarbazol-2-amine

N-(9H-fluoren-3-yl)-9-phenyl-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-ylcarbazol-2-amine (PubChem CID 166508676) has the molecular formula C50H38N2 and a molecular weight of 666.87 g/mol. Its IUPAC name is N-(9H-fluoren-3-yl)-9-phenyl-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-ylcarbazol-2-amine.

Molecular Properties

Compound NameN-(9H-fluoren-3-yl)-9-phenyl-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-ylcarbazol-2-amine
PubChem CID166508676
Molecular FormulaC50H38N2
Molecular Weight666.87 g/mol
Exact Mass666.30
IUPAC NameN-(9H-fluoren-3-yl)-9-phenyl-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-ylcarbazol-2-amine
SMILESc1ccc(-n2c3ccccc3c3ccc(N(c4ccc5c(c4)-c4ccccc4C5)c4cccc5c4-c4ccccc4C54CC5CCC4C5)cc32)cc1
InChIInChI=1S/C50H38N2/c1-2-12-36(13-3-1)52-46-19-9-7-15-40(46)41-26-25-38(30-48(41)52)51(37-24-22-34-28-33-11-4-5-14-39(33)43(34)29-37)47-20-10-18-45-49(47)42-16-6-8-17-44(42)50(45)31-32-21-23-35(50)27-32/h1-20,22,24-26,29-30,32,35H,21,23,27-28,31H2
InChIKeyZJQYNVLACCXDPJ-UHFFFAOYSA-N
XLogP12.91
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.87
LogP ≤ 512.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9H-fluoren-3-yl)-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazol-3-amine
CID 155399670
3-N,18-N-diphenyl-18-N-(9-phenylcarbazol-2-yl)-3-N-[4-(8-tricyclo[4.3.1.03,8]decanyl)phenyl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine
CID 171404138
N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 121285816
N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-(9-phenylcarbazol-4-yl)carbazol-2-amine
CID 170286472
4-N,4-N-diphenyl-4-N'-(9-phenylcarbazol-2-yl)-4-N'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4,4'-diamine
CID 164838090
N-(4-dibenzofuran-3-ylphenyl)-N-(4-phenylphenyl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-amine
CID 166508488
4-N,4-N'-diphenyl-4-N-(9-phenylcarbazol-2-yl)-4-N'-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4,4'-diamine
CID 164838007
3-N',4-N-diphenyl-4-N-(9-phenylcarbazol-2-yl)-3-N'-(2-phenylphenyl)-9,9'-spirobi[fluorene]-3',4-diamine
CID 164838074
3-N'-naphthalen-1-yl-3-N',4-N-diphenyl-4-N-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-3',4-diamine
CID 164838063
3-N',4-N-diphenyl-3-N'-(9-phenylcarbazol-2-yl)-4-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3',4-diamine
CID 164838003
9-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-spiro[adamantane-2,9'-fluorene]-4'-ylcarbazol-2-amine;9-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-spiro[adamantane-2,9'-fluorene]-4'-ylcarbazol-3-amine;N-[4-(4-phenylphenyl)phenyl]-N-spiro[adamantane-2,9'-fluorene]-4'-yldibenzofuran-2-amine
CID 162170787
N,9-diphenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine
CID 156568137

Frequently Asked Questions

What is the IUPAC name of N-(9H-fluoren-3-yl)-9-phenyl-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-ylcarbazol-2-amine?
The IUPAC name of N-(9H-fluoren-3-yl)-9-phenyl-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-ylcarbazol-2-amine (CID 166508676) is N-(9H-fluoren-3-yl)-9-phenyl-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-ylcarbazol-2-amine.
What is the SMILES notation for N-(9H-fluoren-3-yl)-9-phenyl-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-ylcarbazol-2-amine?
The canonical SMILES for N-(9H-fluoren-3-yl)-9-phenyl-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-ylcarbazol-2-amine is c1ccc(-n2c3ccccc3c3ccc(N(c4ccc5c(c4)-c4ccccc4C5)c4cccc5c4-c4ccccc4C54CC5CCC4C5)cc32)cc1.
What is the InChIKey of N-(9H-fluoren-3-yl)-9-phenyl-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-ylcarbazol-2-amine?
The InChIKey is ZJQYNVLACCXDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H38N2/c1-2-12-36(13-3-1)52-46-19-9-7-15-40(46)41-26-25-38(30-48(41)52)51(37-24-22-34-28-33-11-4-5-14-39(33)43(34)29-37)47-20-10-18-45-49(47)42-16-6-8-17-44(42)50(45)31-32-21-23-35(50)27-32/h1-20,22,24-26,29-30,32,35H,21,23,27-28,31H2.
What are the key properties of N-(9H-fluoren-3-yl)-9-phenyl-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-ylcarbazol-2-amine?
N-(9H-fluoren-3-yl)-9-phenyl-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-ylcarbazol-2-amine has a molecular weight of 666.87 g/mol, XLogP of 12.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9H-fluoren-3-yl)-9-phenyl-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-ylcarbazol-2-amine is sourced from PubChem (CID 166508676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).