N-(9,9-dimethylfluoren-4-yl)-N-[3-(9-phenylcarbazol-3-yl)phenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-amine

C60H44N2 — CID 162779880

IUPACN-(9,9-dimethylfluoren-4-yl)-N-[3-(9-phenylcarbazol-3-yl)phenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3)c3ccc4c(c3)C3(Cc5ccccc5C3)c3ccccc3-4)cccc21
InChIInChI=1S/C60H44N2/c1-59(2)51-25-11-9-24-49(51)58-53(59)27-15-29-57(58)61(45-31-32-47-46-22-8-12-26-52(46)60(54(47)36-45)37-41-16-6-7-17-42(41)38-60)44-21-14-18-39(34-44)40-30-33-56-50(35-40)48-23-10-13-28-55(48)62(56)43-19-4-3-5-20-43/h3-36H,37-38H2,1-2H3
InChIKeyHKJLMOTUVNOWIS-UHFFFAOYSA-N
MW793.03 g/mol
LogP15.29
Rot. Bonds5

About N-(9,9-dimethylfluoren-4-yl)-N-[3-(9-phenylcarbazol-3-yl)phenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-amine

N-(9,9-dimethylfluoren-4-yl)-N-[3-(9-phenylcarbazol-3-yl)phenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-amine (PubChem CID 162779880) has the molecular formula C60H44N2 and a molecular weight of 793.03 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-4-yl)-N-[3-(9-phenylcarbazol-3-yl)phenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-4-yl)-N-[3-(9-phenylcarbazol-3-yl)phenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-amine
PubChem CID162779880
Molecular FormulaC60H44N2
Molecular Weight793.03 g/mol
Exact Mass792.35
IUPAC NameN-(9,9-dimethylfluoren-4-yl)-N-[3-(9-phenylcarbazol-3-yl)phenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3)c3ccc4c(c3)C3(Cc5ccccc5C3)c3ccccc3-4)cccc21
InChIInChI=1S/C60H44N2/c1-59(2)51-25-11-9-24-49(51)58-53(59)27-15-29-57(58)61(45-31-32-47-46-22-8-12-26-52(46)60(54(47)36-45)37-41-16-6-7-17-42(41)38-60)44-21-14-18-39(34-44)40-30-33-56-50(35-40)48-23-10-13-28-55(48)62(56)43-19-4-3-5-20-43/h3-36H,37-38H2,1-2H3
InChIKeyHKJLMOTUVNOWIS-UHFFFAOYSA-N
XLogP15.29
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500793.03
LogP ≤ 515.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(3-phenylphenyl)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-amine
CID 162779846
N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-4-amine
CID 139567825
N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]fluoren-4-amine
CID 139567831
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]fluoren-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]-N-(3-phenylphenyl)fluoren-2-amine
CID 162059824
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N-(3-phenylphenyl)fluoren-2-amine
CID 59171718
9,9-dimethyl-N-(3-phenanthren-9-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-4-amine
CID 170543858
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(3-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine
CID 159095793
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-4-amine
CID 170112243
N-[2-(3-carbazol-9-ylphenyl)-3-phenylphenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine
CID 167293215
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine;methane
CID 158670022
N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 121285816
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 159828144

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-4-yl)-N-[3-(9-phenylcarbazol-3-yl)phenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-amine?
The IUPAC name of N-(9,9-dimethylfluoren-4-yl)-N-[3-(9-phenylcarbazol-3-yl)phenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-amine (CID 162779880) is N-(9,9-dimethylfluoren-4-yl)-N-[3-(9-phenylcarbazol-3-yl)phenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-4-yl)-N-[3-(9-phenylcarbazol-3-yl)phenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-4-yl)-N-[3-(9-phenylcarbazol-3-yl)phenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-amine is CC1(C)c2ccccc2-c2c(N(c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3)c3ccc4c(c3)C3(Cc5ccccc5C3)c3ccccc3-4)cccc21.
What is the InChIKey of N-(9,9-dimethylfluoren-4-yl)-N-[3-(9-phenylcarbazol-3-yl)phenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-amine?
The InChIKey is HKJLMOTUVNOWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H44N2/c1-59(2)51-25-11-9-24-49(51)58-53(59)27-15-29-57(58)61(45-31-32-47-46-22-8-12-26-52(46)60(54(47)36-45)37-41-16-6-7-17-42(41)38-60)44-21-14-18-39(34-44)40-30-33-56-50(35-40)48-23-10-13-28-55(48)62(56)43-19-4-3-5-20-43/h3-36H,37-38H2,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-4-yl)-N-[3-(9-phenylcarbazol-3-yl)phenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-amine?
N-(9,9-dimethylfluoren-4-yl)-N-[3-(9-phenylcarbazol-3-yl)phenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-amine has a molecular weight of 793.03 g/mol, XLogP of 15.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-4-yl)-N-[3-(9-phenylcarbazol-3-yl)phenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-amine is sourced from PubChem (CID 162779880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).