9,9-dimethyl-N-[4-(3-phenanthro[9,10-b]pyrazin-3-ylphenyl)phenyl]fluoren-2-amine

C43H31N3 — CID 175703118

IUPAC9,9-dimethyl-N-[4-(3-phenanthro[9,10-b]pyrazin-3-ylphenyl)phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(Nc3ccc(-c4cccc(-c5cnc6c7ccccc7c7ccccc7c6n5)c4)cc3)cc21
InChIInChI=1S/C43H31N3/c1-43(2)38-17-8-7-14-34(38)35-23-22-31(25-39(35)43)45-30-20-18-27(19-21-30)28-10-9-11-29(24-28)40-26-44-41-36-15-5-3-12-32(36)33-13-4-6-16-37(33)42(41)46-40/h3-26,45H,1-2H3
InChIKeyLWBBQDFXDABNPB-UHFFFAOYSA-N
MW589.74 g/mol
LogP11.32
Rot. Bonds4

About 9,9-dimethyl-N-[4-(3-phenanthro[9,10-b]pyrazin-3-ylphenyl)phenyl]fluoren-2-amine

9,9-dimethyl-N-[4-(3-phenanthro[9,10-b]pyrazin-3-ylphenyl)phenyl]fluoren-2-amine (PubChem CID 175703118) has the molecular formula C43H31N3 and a molecular weight of 589.74 g/mol. Its IUPAC name is 9,9-dimethyl-N-[4-(3-phenanthro[9,10-b]pyrazin-3-ylphenyl)phenyl]fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-[4-(3-phenanthro[9,10-b]pyrazin-3-ylphenyl)phenyl]fluoren-2-amine
PubChem CID175703118
Molecular FormulaC43H31N3
Molecular Weight589.74 g/mol
Exact Mass589.25
IUPAC Name9,9-dimethyl-N-[4-(3-phenanthro[9,10-b]pyrazin-3-ylphenyl)phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(Nc3ccc(-c4cccc(-c5cnc6c7ccccc7c7ccccc7c6n5)c4)cc3)cc21
InChIInChI=1S/C43H31N3/c1-43(2)38-17-8-7-14-34(38)35-23-22-31(25-39(35)43)45-30-20-18-27(19-21-30)28-10-9-11-29(24-28)40-26-44-41-36-15-5-3-12-32(36)33-13-4-6-16-37(33)42(41)46-40/h3-26,45H,1-2H3
InChIKeyLWBBQDFXDABNPB-UHFFFAOYSA-N
XLogP11.32
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.74
LogP ≤ 511.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 118474143
9,9-dimethyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 59357506
3-[7-[3-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethylfluoren-2-yl]phenanthro[9,10-b]pyrazine
CID 129063517
3-[4-[4-[6-(9,9-dimethylfluoren-2-yl)dibenzothiophen-4-yl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 118476850
3-[3-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 129063368
3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-[9,9-dimethyl-7-(3-phenanthro[9,10-b]pyrazin-3-ylphenyl)fluoren-2-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-(3-phenanthro[9,10-b]pyrazin-3-ylphenyl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 158509894
3-[4-[7-(3-dibenzofuran-2-ylphenyl)-9,9-dimethylfluoren-2-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063570
3-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-2-pyridinyl]-5-phenanthren-9-ylphenyl]phenanthro[9,10-b]pyrazine
CID 176622537
9,9-dimethyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 134528915
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 160556555
3-[7-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]-9H-fluoren-2-yl]phenanthro[9,10-b]pyrazine;3-[2-[2-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[4-[3-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 158963630
3-[3-[4-[9,9-dimethyl-7-(9-phenylcarbazol-2-yl)fluoren-2-yl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129064194

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-[4-(3-phenanthro[9,10-b]pyrazin-3-ylphenyl)phenyl]fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-[4-(3-phenanthro[9,10-b]pyrazin-3-ylphenyl)phenyl]fluoren-2-amine (CID 175703118) is 9,9-dimethyl-N-[4-(3-phenanthro[9,10-b]pyrazin-3-ylphenyl)phenyl]fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-[4-(3-phenanthro[9,10-b]pyrazin-3-ylphenyl)phenyl]fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-[4-(3-phenanthro[9,10-b]pyrazin-3-ylphenyl)phenyl]fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(Nc3ccc(-c4cccc(-c5cnc6c7ccccc7c7ccccc7c6n5)c4)cc3)cc21.
What is the InChIKey of 9,9-dimethyl-N-[4-(3-phenanthro[9,10-b]pyrazin-3-ylphenyl)phenyl]fluoren-2-amine?
The InChIKey is LWBBQDFXDABNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H31N3/c1-43(2)38-17-8-7-14-34(38)35-23-22-31(25-39(35)43)45-30-20-18-27(19-21-30)28-10-9-11-29(24-28)40-26-44-41-36-15-5-3-12-32(36)33-13-4-6-16-37(33)42(41)46-40/h3-26,45H,1-2H3.
What are the key properties of 9,9-dimethyl-N-[4-(3-phenanthro[9,10-b]pyrazin-3-ylphenyl)phenyl]fluoren-2-amine?
9,9-dimethyl-N-[4-(3-phenanthro[9,10-b]pyrazin-3-ylphenyl)phenyl]fluoren-2-amine has a molecular weight of 589.74 g/mol, XLogP of 11.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-[4-(3-phenanthro[9,10-b]pyrazin-3-ylphenyl)phenyl]fluoren-2-amine is sourced from PubChem (CID 175703118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).