7-[6-(9H-carbazol-3-yl)pyren-1-yl]-9,9-diethyl-N,N-diphenylfluoren-2-amine

C57H42N2 — CID 90128204

IUPAC7-[6-(9H-carbazol-3-yl)pyren-1-yl]-9,9-diethyl-N,N-diphenylfluoren-2-amine
SMILESCCC1(CC)c2cc(-c3ccc4ccc5c(-c6ccc7[nH]c8ccccc8c7c6)ccc6ccc3c4c65)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C57H42N2/c1-3-57(4-2)51-34-39(23-28-45(51)46-31-25-42(35-52(46)57)59(40-13-7-5-8-14-40)41-15-9-6-10-16-41)44-27-20-37-21-29-48-43(26-19-36-22-30-49(44)56(37)55(36)48)38-24-32-54-50(33-38)47-17-11-12-18-53(47)58-54/h5-35,58H,3-4H2,1-2H3
InChIKeyLCZPLEJRRDOZEC-UHFFFAOYSA-N
MW754.98 g/mol
LogP16.11
Rot. Bonds7

About 7-[6-(9H-carbazol-3-yl)pyren-1-yl]-9,9-diethyl-N,N-diphenylfluoren-2-amine

7-[6-(9H-carbazol-3-yl)pyren-1-yl]-9,9-diethyl-N,N-diphenylfluoren-2-amine (PubChem CID 90128204) has the molecular formula C57H42N2 and a molecular weight of 754.98 g/mol. Its IUPAC name is 7-[6-(9H-carbazol-3-yl)pyren-1-yl]-9,9-diethyl-N,N-diphenylfluoren-2-amine.

Molecular Properties

Compound Name7-[6-(9H-carbazol-3-yl)pyren-1-yl]-9,9-diethyl-N,N-diphenylfluoren-2-amine
PubChem CID90128204
Molecular FormulaC57H42N2
Molecular Weight754.98 g/mol
Exact Mass754.33
IUPAC Name7-[6-(9H-carbazol-3-yl)pyren-1-yl]-9,9-diethyl-N,N-diphenylfluoren-2-amine
SMILESCCC1(CC)c2cc(-c3ccc4ccc5c(-c6ccc7[nH]c8ccccc8c7c6)ccc6ccc3c4c65)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C57H42N2/c1-3-57(4-2)51-34-39(23-28-45(51)46-31-25-42(35-52(46)57)59(40-13-7-5-8-14-40)41-15-9-6-10-16-41)44-27-20-37-21-29-48-43(26-19-36-22-30-49(44)56(37)55(36)48)38-24-32-54-50(33-38)47-17-11-12-18-53(47)58-54/h5-35,58H,3-4H2,1-2H3
InChIKeyLCZPLEJRRDOZEC-UHFFFAOYSA-N
XLogP16.11
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.98
LogP ≤ 516.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(6-phenylpyren-1-yl)-9H-carbazole
CID 134424912
N-[4-(9H-carbazol-3-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 59306861
9,9-diethyl-7-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-N,N-diphenylfluoren-2-amine
CID 142742012
4-(9H-carbazol-3-yl)-N,N-diphenylaniline;ethane
CID 144639434
bromoethane;4-(9H-carbazol-3-yl)-N,N-diphenylaniline
CID 144639430
N-phenyl-N-[4-[6-[4-[N-(9,9'-spirobi[fluorene]-2-yl)anilino]phenyl]-9H-carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 59306973
2-N,2-N,7-N-tris(9,9-diethylfluoren-2-yl)-9,9-diethyl-7-N-phenylfluorene-2,7-diamine
CID 23561815
1-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]-N,N-diphenyl-9H-carbazol-3-amine
CID 154697182
9,9-dimethyl-N-[4-(6-phenyl-9H-carbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 155383152
4-[4-[4-[4-(9H-carbazol-3-yl)phenyl]phenyl]phenyl]-N,N-bis(4-naphthalen-1-ylphenyl)aniline
CID 153492707
7-[7-[9,9-diethyl-7-(4-methyl-N-(4-methylphenyl)anilino)fluoren-2-yl]-9,9-diethylfluoren-2-yl]-9,9-diethyl-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 118424877
N-[4-(9H-carbazol-3-yl)phenyl]-N-phenyl-3-propan-2-ylaniline
CID 59307180

Frequently Asked Questions

What is the IUPAC name of 7-[6-(9H-carbazol-3-yl)pyren-1-yl]-9,9-diethyl-N,N-diphenylfluoren-2-amine?
The IUPAC name of 7-[6-(9H-carbazol-3-yl)pyren-1-yl]-9,9-diethyl-N,N-diphenylfluoren-2-amine (CID 90128204) is 7-[6-(9H-carbazol-3-yl)pyren-1-yl]-9,9-diethyl-N,N-diphenylfluoren-2-amine.
What is the SMILES notation for 7-[6-(9H-carbazol-3-yl)pyren-1-yl]-9,9-diethyl-N,N-diphenylfluoren-2-amine?
The canonical SMILES for 7-[6-(9H-carbazol-3-yl)pyren-1-yl]-9,9-diethyl-N,N-diphenylfluoren-2-amine is CCC1(CC)c2cc(-c3ccc4ccc5c(-c6ccc7[nH]c8ccccc8c7c6)ccc6ccc3c4c65)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21.
What is the InChIKey of 7-[6-(9H-carbazol-3-yl)pyren-1-yl]-9,9-diethyl-N,N-diphenylfluoren-2-amine?
The InChIKey is LCZPLEJRRDOZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H42N2/c1-3-57(4-2)51-34-39(23-28-45(51)46-31-25-42(35-52(46)57)59(40-13-7-5-8-14-40)41-15-9-6-10-16-41)44-27-20-37-21-29-48-43(26-19-36-22-30-49(44)56(37)55(36)48)38-24-32-54-50(33-38)47-17-11-12-18-53(47)58-54/h5-35,58H,3-4H2,1-2H3.
What are the key properties of 7-[6-(9H-carbazol-3-yl)pyren-1-yl]-9,9-diethyl-N,N-diphenylfluoren-2-amine?
7-[6-(9H-carbazol-3-yl)pyren-1-yl]-9,9-diethyl-N,N-diphenylfluoren-2-amine has a molecular weight of 754.98 g/mol, XLogP of 16.11, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-(9H-carbazol-3-yl)pyren-1-yl]-9,9-diethyl-N,N-diphenylfluoren-2-amine is sourced from PubChem (CID 90128204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).