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

C57H40N2 — CID 162779846

IUPACN-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(3-phenylphenyl)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-amine
SMILESc1ccc(-c2cccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3ccc4c(c3)C3(Cc5ccccc5C3)c3ccccc3-4)c2)cc1
InChIInChI=1S/C57H40N2/c1-3-14-39(15-4-1)41-18-13-21-47(34-41)58(48-31-32-50-49-22-9-11-24-53(49)57(54(50)36-48)37-43-16-7-8-17-44(43)38-57)46-29-26-40(27-30-46)42-28-33-56-52(35-42)51-23-10-12-25-55(51)59(56)45-19-5-2-6-20-45/h1-36H,37-38H2
InChIKeyZCSYYMSNGKHXRF-UHFFFAOYSA-N
MW752.96 g/mol
LogP14.65
Rot. Bonds6

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

N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(3-phenylphenyl)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-amine (PubChem CID 162779846) has the molecular formula C57H40N2 and a molecular weight of 752.96 g/mol. Its IUPAC name is N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(3-phenylphenyl)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-amine.

Molecular Properties

Compound NameN-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(3-phenylphenyl)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-amine
PubChem CID162779846
Molecular FormulaC57H40N2
Molecular Weight752.96 g/mol
Exact Mass752.32
IUPAC NameN-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(3-phenylphenyl)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-amine
SMILESc1ccc(-c2cccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3ccc4c(c3)C3(Cc5ccccc5C3)c3ccccc3-4)c2)cc1
InChIInChI=1S/C57H40N2/c1-3-14-39(15-4-1)41-18-13-21-47(34-41)58(48-31-32-50-49-22-9-11-24-53(49)57(54(50)36-48)37-43-16-7-8-17-44(43)38-57)46-29-26-40(27-30-46)42-28-33-56-52(35-42)51-23-10-12-25-55(51)59(56)45-19-5-2-6-20-45/h1-36H,37-38H2
InChIKeyZCSYYMSNGKHXRF-UHFFFAOYSA-N
XLogP14.65
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.96
LogP ≤ 514.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-dimethylfluoren-4-yl)-N-[3-(9-phenylcarbazol-3-yl)phenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-amine
CID 162779880
N,9-diphenyl-N-(4-spiro[1,3-dihydroindene-2,9'-fluorene]-2'-ylphenyl)carbazol-2-amine
CID 162779800
9-(4-fluorophenyl)-N-(4-phenylphenyl)-N-spiro[1,3-dihydroindene-2,9'-fluorene]-2'-ylcarbazol-3-amine
CID 162779812
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
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-[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
9,9-dimethyl-N-(4-phenylphenyl)-N-[3-(9-pyridin-4-ylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 168771528
9-phenyl-3-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenyl]carbazole
CID 58987327
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[9-[3-[9-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]carbazol-3-yl]phenyl]carbazol-3-yl]phenyl]fluoren-2-amine
CID 167287563
N-[4-[4-(5,11-diphenylindolo[3,2-b]carbazol-2-yl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 58454141
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;propane
CID 145262951
4-N-(9,9-dimethylfluoren-2-yl)-1-N-[4-(5,11-diphenylindolo[3,2-b]carbazol-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 163439263

Frequently Asked Questions

What is the IUPAC name of N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(3-phenylphenyl)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-amine?
The IUPAC name of N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(3-phenylphenyl)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-amine (CID 162779846) is N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(3-phenylphenyl)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-amine.
What is the SMILES notation for N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(3-phenylphenyl)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-amine?
The canonical SMILES for N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(3-phenylphenyl)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-amine is c1ccc(-c2cccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3ccc4c(c3)C3(Cc5ccccc5C3)c3ccccc3-4)c2)cc1.
What is the InChIKey of N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(3-phenylphenyl)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-amine?
The InChIKey is ZCSYYMSNGKHXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H40N2/c1-3-14-39(15-4-1)41-18-13-21-47(34-41)58(48-31-32-50-49-22-9-11-24-53(49)57(54(50)36-48)37-43-16-7-8-17-44(43)38-57)46-29-26-40(27-30-46)42-28-33-56-52(35-42)51-23-10-12-25-55(51)59(56)45-19-5-2-6-20-45/h1-36H,37-38H2.
What are the key properties of N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(3-phenylphenyl)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-amine?
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(3-phenylphenyl)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-amine has a molecular weight of 752.96 g/mol, XLogP of 14.65, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(3-phenylphenyl)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-amine is sourced from PubChem (CID 162779846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).