3-[3-[3-(9H-fluoren-1-yl)phenyl]phenyl]phenanthro[9,10-c]pyridine

C42H27N — CID 134393989

IUPAC3-[3-[3-(9H-fluoren-1-yl)phenyl]phenyl]phenanthro[9,10-c]pyridine
SMILESc1cc(-c2cccc(-c3cccc4c3Cc3ccccc3-4)c2)cc(-c2cc3c4ccccc4c4ccccc4c3cn2)c1
InChIInChI=1S/C42H27N/c1-2-15-32-30(10-1)24-39-33(20-9-21-34(32)39)29-13-7-11-27(22-29)28-12-8-14-31(23-28)42-25-40-37-18-5-3-16-35(37)36-17-4-6-19-38(36)41(40)26-43-42/h1-23,25-26H,24H2
InChIKeyYKKQYCWSJHWBFT-UHFFFAOYSA-N
MW545.69 g/mol
LogP11.11
Rot. Bonds3

About 3-[3-[3-(9H-fluoren-1-yl)phenyl]phenyl]phenanthro[9,10-c]pyridine

3-[3-[3-(9H-fluoren-1-yl)phenyl]phenyl]phenanthro[9,10-c]pyridine (PubChem CID 134393989) has the molecular formula C42H27N and a molecular weight of 545.69 g/mol. Its IUPAC name is 3-[3-[3-(9H-fluoren-1-yl)phenyl]phenyl]phenanthro[9,10-c]pyridine.

Molecular Properties

Compound Name3-[3-[3-(9H-fluoren-1-yl)phenyl]phenyl]phenanthro[9,10-c]pyridine
PubChem CID134393989
Molecular FormulaC42H27N
Molecular Weight545.69 g/mol
Exact Mass545.21
IUPAC Name3-[3-[3-(9H-fluoren-1-yl)phenyl]phenyl]phenanthro[9,10-c]pyridine
SMILESc1cc(-c2cccc(-c3cccc4c3Cc3ccccc3-4)c2)cc(-c2cc3c4ccccc4c4ccccc4c3cn2)c1
InChIInChI=1S/C42H27N/c1-2-15-32-30(10-1)24-39-33(20-9-21-34(32)39)29-13-7-11-27(22-29)28-12-8-14-31(23-28)42-25-40-37-18-5-3-16-35(37)36-17-4-6-19-38(36)41(40)26-43-42/h1-23,25-26H,24H2
InChIKeyYKKQYCWSJHWBFT-UHFFFAOYSA-N
XLogP11.11
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.69
LogP ≤ 511.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-(9H-fluoren-1-yl)phenyl]phenyl]phenanthro[9,10-c]pyridine?
The IUPAC name of 3-[3-[3-(9H-fluoren-1-yl)phenyl]phenyl]phenanthro[9,10-c]pyridine (CID 134393989) is 3-[3-[3-(9H-fluoren-1-yl)phenyl]phenyl]phenanthro[9,10-c]pyridine.
What is the SMILES notation for 3-[3-[3-(9H-fluoren-1-yl)phenyl]phenyl]phenanthro[9,10-c]pyridine?
The canonical SMILES for 3-[3-[3-(9H-fluoren-1-yl)phenyl]phenyl]phenanthro[9,10-c]pyridine is c1cc(-c2cccc(-c3cccc4c3Cc3ccccc3-4)c2)cc(-c2cc3c4ccccc4c4ccccc4c3cn2)c1.
What is the InChIKey of 3-[3-[3-(9H-fluoren-1-yl)phenyl]phenyl]phenanthro[9,10-c]pyridine?
The InChIKey is YKKQYCWSJHWBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27N/c1-2-15-32-30(10-1)24-39-33(20-9-21-34(32)39)29-13-7-11-27(22-29)28-12-8-14-31(23-28)42-25-40-37-18-5-3-16-35(37)36-17-4-6-19-38(36)41(40)26-43-42/h1-23,25-26H,24H2.
What are the key properties of 3-[3-[3-(9H-fluoren-1-yl)phenyl]phenyl]phenanthro[9,10-c]pyridine?
3-[3-[3-(9H-fluoren-1-yl)phenyl]phenyl]phenanthro[9,10-c]pyridine has a molecular weight of 545.69 g/mol, XLogP of 11.11, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-(9H-fluoren-1-yl)phenyl]phenyl]phenanthro[9,10-c]pyridine is sourced from PubChem (CID 134393989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).