10-(7-carbazol-9-yl-9H-fluoren-2-yl)phenanthro[9,10-b]pyrazine

C41H25N3 — CID 163655943

IUPAC10-(7-carbazol-9-yl-9H-fluoren-2-yl)phenanthro[9,10-b]pyrazine
SMILESc1ccc2c(c1)c1cc(-c3ccc4c(c3)Cc3cc(-n5c6ccccc6c6ccccc65)ccc3-4)ccc1c1nccnc21
InChIInChI=1S/C41H25N3/c1-2-10-35-32(7-1)37-24-26(14-17-36(37)41-40(35)42-19-20-43-41)25-13-16-30-27(21-25)22-28-23-29(15-18-31(28)30)44-38-11-5-3-8-33(38)34-9-4-6-12-39(34)44/h1-21,23-24H,22H2
InChIKeyIQFHZLOBOGGZMA-UHFFFAOYSA-N
MW559.67 g/mol
LogP10.27
Rot. Bonds2

About 10-(7-carbazol-9-yl-9H-fluoren-2-yl)phenanthro[9,10-b]pyrazine

10-(7-carbazol-9-yl-9H-fluoren-2-yl)phenanthro[9,10-b]pyrazine (PubChem CID 163655943) has the molecular formula C41H25N3 and a molecular weight of 559.67 g/mol. Its IUPAC name is 10-(7-carbazol-9-yl-9H-fluoren-2-yl)phenanthro[9,10-b]pyrazine.

Molecular Properties

Compound Name10-(7-carbazol-9-yl-9H-fluoren-2-yl)phenanthro[9,10-b]pyrazine
PubChem CID163655943
Molecular FormulaC41H25N3
Molecular Weight559.67 g/mol
Exact Mass559.20
IUPAC Name10-(7-carbazol-9-yl-9H-fluoren-2-yl)phenanthro[9,10-b]pyrazine
SMILESc1ccc2c(c1)c1cc(-c3ccc4c(c3)Cc3cc(-n5c6ccccc6c6ccccc65)ccc3-4)ccc1c1nccnc21
InChIInChI=1S/C41H25N3/c1-2-10-35-32(7-1)37-24-26(14-17-36(37)41-40(35)42-19-20-43-41)25-13-16-30-27(21-25)22-28-23-29(15-18-31(28)30)44-38-11-5-3-8-33(38)34-9-4-6-12-39(34)44/h1-21,23-24H,22H2
InChIKeyIQFHZLOBOGGZMA-UHFFFAOYSA-N
XLogP10.27
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.67
LogP ≤ 510.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

10-[7-(4-carbazol-9-ylphenyl)-9,9-dimethylfluoren-2-yl]phenanthro[9,10-b]pyrazine
CID 129063786
7-(3-carbazol-9-ylphenyl)-10-phenylphenanthro[9,10-b]pyrazine
CID 88858520
6-[3-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063833
10-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063815
2-[9-(9H-fluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 121241600
10-[4-[3-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129064133
3,6-di(phenanthren-9-yl)-9-(7-phenanthren-9-yl-9H-fluoren-2-yl)carbazole
CID 118475131
9-(7-phenanthren-9-yl-9H-fluoren-2-yl)-3,6-bis[4-(4-phenanthren-9-ylphenyl)phenyl]carbazole
CID 118475080
10-[3-[3-(4-carbazol-9-ylnaphthalen-1-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063859
3,6-di(phenanthren-9-yl)-9-[7-(4-phenylphenyl)-9H-fluoren-2-yl]carbazole
CID 118475163
10-[2,5-dimethyl-4-(9-phenylcarbazol-3-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 88858517
9-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-fluoren-3-yl]carbazole
CID 146335978

Frequently Asked Questions

What is the IUPAC name of 10-(7-carbazol-9-yl-9H-fluoren-2-yl)phenanthro[9,10-b]pyrazine?
The IUPAC name of 10-(7-carbazol-9-yl-9H-fluoren-2-yl)phenanthro[9,10-b]pyrazine (CID 163655943) is 10-(7-carbazol-9-yl-9H-fluoren-2-yl)phenanthro[9,10-b]pyrazine.
What is the SMILES notation for 10-(7-carbazol-9-yl-9H-fluoren-2-yl)phenanthro[9,10-b]pyrazine?
The canonical SMILES for 10-(7-carbazol-9-yl-9H-fluoren-2-yl)phenanthro[9,10-b]pyrazine is c1ccc2c(c1)c1cc(-c3ccc4c(c3)Cc3cc(-n5c6ccccc6c6ccccc65)ccc3-4)ccc1c1nccnc21.
What is the InChIKey of 10-(7-carbazol-9-yl-9H-fluoren-2-yl)phenanthro[9,10-b]pyrazine?
The InChIKey is IQFHZLOBOGGZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25N3/c1-2-10-35-32(7-1)37-24-26(14-17-36(37)41-40(35)42-19-20-43-41)25-13-16-30-27(21-25)22-28-23-29(15-18-31(28)30)44-38-11-5-3-8-33(38)34-9-4-6-12-39(34)44/h1-21,23-24H,22H2.
What are the key properties of 10-(7-carbazol-9-yl-9H-fluoren-2-yl)phenanthro[9,10-b]pyrazine?
10-(7-carbazol-9-yl-9H-fluoren-2-yl)phenanthro[9,10-b]pyrazine has a molecular weight of 559.67 g/mol, XLogP of 10.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(7-carbazol-9-yl-9H-fluoren-2-yl)phenanthro[9,10-b]pyrazine is sourced from PubChem (CID 163655943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).