3-(9,9-diphenylfluoren-2-yl)-10a,12b-dihydropyreno[1,2-b]pyridine

C44H29N — CID 89296766

IUPAC3-(9,9-diphenylfluoren-2-yl)-10a,12b-dihydropyreno[1,2-b]pyridine
SMILESC1=CC2=CC3=CC=C4C(c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)=CC=C5C=CC(=C3C54)C2N=C1
InChIInChI=1S/C44H29N/c1-3-11-32(12-4-1)44(33-13-5-2-6-14-33)39-16-8-7-15-35(39)36-22-19-29(27-40(36)44)34-21-17-28-18-24-38-42-30(20-23-37(34)41(28)42)26-31-10-9-25-45-43(31)38/h1-27,41,43H
InChIKeyDAQFYTAHYQPAMU-UHFFFAOYSA-N
MW571.72 g/mol
LogP9.67
Rot. Bonds3

About 3-(9,9-diphenylfluoren-2-yl)-10a,12b-dihydropyreno[1,2-b]pyridine

3-(9,9-diphenylfluoren-2-yl)-10a,12b-dihydropyreno[1,2-b]pyridine (PubChem CID 89296766) has the molecular formula C44H29N and a molecular weight of 571.72 g/mol. Its IUPAC name is 3-(9,9-diphenylfluoren-2-yl)-10a,12b-dihydropyreno[1,2-b]pyridine.

Molecular Properties

Compound Name3-(9,9-diphenylfluoren-2-yl)-10a,12b-dihydropyreno[1,2-b]pyridine
PubChem CID89296766
Molecular FormulaC44H29N
Molecular Weight571.72 g/mol
Exact Mass571.23
IUPAC Name3-(9,9-diphenylfluoren-2-yl)-10a,12b-dihydropyreno[1,2-b]pyridine
SMILESC1=CC2=CC3=CC=C4C(c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)=CC=C5C=CC(=C3C54)C2N=C1
InChIInChI=1S/C44H29N/c1-3-11-32(12-4-1)44(33-13-5-2-6-14-33)39-16-8-7-15-35(39)36-22-19-29(27-40(36)44)34-21-17-28-18-24-38-42-30(20-23-37(34)41(28)42)26-31-10-9-25-45-43(31)38/h1-27,41,43H
InChIKeyDAQFYTAHYQPAMU-UHFFFAOYSA-N
XLogP9.67
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.72
LogP ≤ 59.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(9,9-diphenylfluoren-2-yl)-10a,12b-dihydropyreno[1,2-b]pyridine?
The IUPAC name of 3-(9,9-diphenylfluoren-2-yl)-10a,12b-dihydropyreno[1,2-b]pyridine (CID 89296766) is 3-(9,9-diphenylfluoren-2-yl)-10a,12b-dihydropyreno[1,2-b]pyridine.
What is the SMILES notation for 3-(9,9-diphenylfluoren-2-yl)-10a,12b-dihydropyreno[1,2-b]pyridine?
The canonical SMILES for 3-(9,9-diphenylfluoren-2-yl)-10a,12b-dihydropyreno[1,2-b]pyridine is C1=CC2=CC3=CC=C4C(c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)=CC=C5C=CC(=C3C54)C2N=C1.
What is the InChIKey of 3-(9,9-diphenylfluoren-2-yl)-10a,12b-dihydropyreno[1,2-b]pyridine?
The InChIKey is DAQFYTAHYQPAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29N/c1-3-11-32(12-4-1)44(33-13-5-2-6-14-33)39-16-8-7-15-35(39)36-22-19-29(27-40(36)44)34-21-17-28-18-24-38-42-30(20-23-37(34)41(28)42)26-31-10-9-25-45-43(31)38/h1-27,41,43H.
What are the key properties of 3-(9,9-diphenylfluoren-2-yl)-10a,12b-dihydropyreno[1,2-b]pyridine?
3-(9,9-diphenylfluoren-2-yl)-10a,12b-dihydropyreno[1,2-b]pyridine has a molecular weight of 571.72 g/mol, XLogP of 9.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9,9-diphenylfluoren-2-yl)-10a,12b-dihydropyreno[1,2-b]pyridine is sourced from PubChem (CID 89296766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).