9-(9,9-dimethylfluoren-2-yl)-N-phenyl-N-triphenylen-1-ylcarbazol-2-amine

C51H36N2 — CID 135129010

IUPAC9-(9,9-dimethylfluoren-2-yl)-N-phenyl-N-triphenylen-1-ylcarbazol-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4ccc(N(c5ccccc5)c5cccc6c7ccccc7c7ccccc7c56)cc43)cc21
InChIInChI=1S/C51H36N2/c1-51(2)45-24-12-10-20-39(45)40-29-27-34(31-46(40)51)53-47-25-13-11-21-41(47)42-30-28-35(32-49(42)53)52(33-15-4-3-5-16-33)48-26-14-23-44-38-18-7-6-17-36(38)37-19-8-9-22-43(37)50(44)48/h3-32H,1-2H3
InChIKeyWBFYDAKRTQWDTQ-UHFFFAOYSA-N
MW676.86 g/mol
LogP14.02
Rot. Bonds4

About 9-(9,9-dimethylfluoren-2-yl)-N-phenyl-N-triphenylen-1-ylcarbazol-2-amine

9-(9,9-dimethylfluoren-2-yl)-N-phenyl-N-triphenylen-1-ylcarbazol-2-amine (PubChem CID 135129010) has the molecular formula C51H36N2 and a molecular weight of 676.86 g/mol. Its IUPAC name is 9-(9,9-dimethylfluoren-2-yl)-N-phenyl-N-triphenylen-1-ylcarbazol-2-amine.

Molecular Properties

Compound Name9-(9,9-dimethylfluoren-2-yl)-N-phenyl-N-triphenylen-1-ylcarbazol-2-amine
PubChem CID135129010
Molecular FormulaC51H36N2
Molecular Weight676.86 g/mol
Exact Mass676.29
IUPAC Name9-(9,9-dimethylfluoren-2-yl)-N-phenyl-N-triphenylen-1-ylcarbazol-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4ccc(N(c5ccccc5)c5cccc6c7ccccc7c7ccccc7c56)cc43)cc21
InChIInChI=1S/C51H36N2/c1-51(2)45-24-12-10-20-39(45)40-29-27-34(31-46(40)51)53-47-25-13-11-21-41(47)42-30-28-35(32-49(42)53)52(33-15-4-3-5-16-33)48-26-14-23-44-38-18-7-6-17-36(38)37-19-8-9-22-43(37)50(44)48/h3-32H,1-2H3
InChIKeyWBFYDAKRTQWDTQ-UHFFFAOYSA-N
XLogP14.02
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.86
LogP ≤ 514.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-9-phenanthren-2-yl-N-phenylcarbazol-2-amine
CID 163526575
7'-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-2'-amine
CID 58084613
N-(4-tert-butylphenyl)-9-(9,9-dimethylfluoren-2-yl)-N-triphenylen-2-ylcarbazol-2-amine
CID 126738644
5-(9,9-dimethylfluoren-2-yl)-N-(9-phenylcarbazol-2-yl)-N-(9,9'-spirobi[fluorene]-1-yl)benzo[b]carbazol-3-amine
CID 145335074
N-(9,9-dimethylfluoren-2-yl)-N-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]phenyl]-9,9-dimethylfluoren-2-amine
CID 177287627
9-(9,9-dimethylfluoren-3-yl)-N-(9-phenylcarbazol-4-yl)-N-(3-phenylphenyl)carbazol-2-amine
CID 170286776
9,9-dimethyl-N-(4-phenylphenyl)-N-[2-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]fluoren-2-amine
CID 118505806
7-carbazol-9-yl-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 58389898
N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbazol-2-amine
CID 170277086
N-(11,11-dimethylbenzo[b]fluoren-8-yl)-N,9-diphenylcarbazol-4-amine
CID 156554164
N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-3-ylcarbazol-2-amine;N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-3-ylcarbazol-2-amine;9-(9,9-dimethylfluoren-2-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-3-ylcarbazol-2-amine
CID 164986866
2-carbazol-9-yl-9-[7-(2-carbazol-9-ylcarbazol-9-yl)-9,9-dimethylfluoren-2-yl]carbazole;2-carbazol-9-yl-9-[4-(2-carbazol-9-yl-6-phenylcarbazol-9-yl)phenyl]-6-phenylcarbazole;9-[9,9-dimethyl-7-[2-(N-phenylanilino)carbazol-9-yl]fluoren-2-yl]-N,N-diphenylcarbazol-2-amine;9-[9-[4-[2-(3,6-diphenylcarbazol-9-yl)carbazol-9-yl]phenyl]carbazol-2-yl]-3,6-diphenylcarbazole
CID 158084522

Frequently Asked Questions

What is the IUPAC name of 9-(9,9-dimethylfluoren-2-yl)-N-phenyl-N-triphenylen-1-ylcarbazol-2-amine?
The IUPAC name of 9-(9,9-dimethylfluoren-2-yl)-N-phenyl-N-triphenylen-1-ylcarbazol-2-amine (CID 135129010) is 9-(9,9-dimethylfluoren-2-yl)-N-phenyl-N-triphenylen-1-ylcarbazol-2-amine.
What is the SMILES notation for 9-(9,9-dimethylfluoren-2-yl)-N-phenyl-N-triphenylen-1-ylcarbazol-2-amine?
The canonical SMILES for 9-(9,9-dimethylfluoren-2-yl)-N-phenyl-N-triphenylen-1-ylcarbazol-2-amine is CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4ccc(N(c5ccccc5)c5cccc6c7ccccc7c7ccccc7c56)cc43)cc21.
What is the InChIKey of 9-(9,9-dimethylfluoren-2-yl)-N-phenyl-N-triphenylen-1-ylcarbazol-2-amine?
The InChIKey is WBFYDAKRTQWDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H36N2/c1-51(2)45-24-12-10-20-39(45)40-29-27-34(31-46(40)51)53-47-25-13-11-21-41(47)42-30-28-35(32-49(42)53)52(33-15-4-3-5-16-33)48-26-14-23-44-38-18-7-6-17-36(38)37-19-8-9-22-43(37)50(44)48/h3-32H,1-2H3.
What are the key properties of 9-(9,9-dimethylfluoren-2-yl)-N-phenyl-N-triphenylen-1-ylcarbazol-2-amine?
9-(9,9-dimethylfluoren-2-yl)-N-phenyl-N-triphenylen-1-ylcarbazol-2-amine has a molecular weight of 676.86 g/mol, XLogP of 14.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9,9-dimethylfluoren-2-yl)-N-phenyl-N-triphenylen-1-ylcarbazol-2-amine is sourced from PubChem (CID 135129010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).