3-(7,9,9-trimethyl-7,8-dihydrofluoren-2-yl)-10a,12b-dihydropyreno[1,2-b]pyridine

C35H29N — CID 89303478

IUPAC3-(7,9,9-trimethyl-7,8-dihydrofluoren-2-yl)-10a,12b-dihydropyreno[1,2-b]pyridine
SMILESCC1C=CC2=C(C1)C(C)(C)c1cc(C3=C4C=CC5=C6C(=CC=C(C=C3)C46)C3N=CC=CC3=C5)ccc12
InChIInChI=1S/C35H29N/c1-20-6-11-26-27-13-9-22(19-31(27)35(2,3)30(26)17-20)25-12-7-21-8-15-29-33-23(10-14-28(25)32(21)33)18-24-5-4-16-36-34(24)29/h4-16,18-20,32,34H,17H2,1-3H3
InChIKeyPTMYPBDSWGHXBR-UHFFFAOYSA-N
MW463.62 g/mol
LogP7.95
Rot. Bonds1

About 3-(7,9,9-trimethyl-7,8-dihydrofluoren-2-yl)-10a,12b-dihydropyreno[1,2-b]pyridine

3-(7,9,9-trimethyl-7,8-dihydrofluoren-2-yl)-10a,12b-dihydropyreno[1,2-b]pyridine (PubChem CID 89303478) has the molecular formula C35H29N and a molecular weight of 463.62 g/mol. Its IUPAC name is 3-(7,9,9-trimethyl-7,8-dihydrofluoren-2-yl)-10a,12b-dihydropyreno[1,2-b]pyridine.

Molecular Properties

Compound Name3-(7,9,9-trimethyl-7,8-dihydrofluoren-2-yl)-10a,12b-dihydropyreno[1,2-b]pyridine
PubChem CID89303478
Molecular FormulaC35H29N
Molecular Weight463.62 g/mol
Exact Mass463.23
IUPAC Name3-(7,9,9-trimethyl-7,8-dihydrofluoren-2-yl)-10a,12b-dihydropyreno[1,2-b]pyridine
SMILESCC1C=CC2=C(C1)C(C)(C)c1cc(C3=C4C=CC5=C6C(=CC=C(C=C3)C46)C3N=CC=CC3=C5)ccc12
InChIInChI=1S/C35H29N/c1-20-6-11-26-27-13-9-22(19-31(27)35(2,3)30(26)17-20)25-12-7-21-8-15-29-33-23(10-14-28(25)32(21)33)18-24-5-4-16-36-34(24)29/h4-16,18-20,32,34H,17H2,1-3H3
InChIKeyPTMYPBDSWGHXBR-UHFFFAOYSA-N
XLogP7.95
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.62
LogP ≤ 57.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(7,9,9-trimethyl-7,8-dihydrofluoren-2-yl)-10a,12b-dihydropyreno[1,2-b]pyridine?
The IUPAC name of 3-(7,9,9-trimethyl-7,8-dihydrofluoren-2-yl)-10a,12b-dihydropyreno[1,2-b]pyridine (CID 89303478) is 3-(7,9,9-trimethyl-7,8-dihydrofluoren-2-yl)-10a,12b-dihydropyreno[1,2-b]pyridine.
What is the SMILES notation for 3-(7,9,9-trimethyl-7,8-dihydrofluoren-2-yl)-10a,12b-dihydropyreno[1,2-b]pyridine?
The canonical SMILES for 3-(7,9,9-trimethyl-7,8-dihydrofluoren-2-yl)-10a,12b-dihydropyreno[1,2-b]pyridine is CC1C=CC2=C(C1)C(C)(C)c1cc(C3=C4C=CC5=C6C(=CC=C(C=C3)C46)C3N=CC=CC3=C5)ccc12.
What is the InChIKey of 3-(7,9,9-trimethyl-7,8-dihydrofluoren-2-yl)-10a,12b-dihydropyreno[1,2-b]pyridine?
The InChIKey is PTMYPBDSWGHXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H29N/c1-20-6-11-26-27-13-9-22(19-31(27)35(2,3)30(26)17-20)25-12-7-21-8-15-29-33-23(10-14-28(25)32(21)33)18-24-5-4-16-36-34(24)29/h4-16,18-20,32,34H,17H2,1-3H3.
What are the key properties of 3-(7,9,9-trimethyl-7,8-dihydrofluoren-2-yl)-10a,12b-dihydropyreno[1,2-b]pyridine?
3-(7,9,9-trimethyl-7,8-dihydrofluoren-2-yl)-10a,12b-dihydropyreno[1,2-b]pyridine has a molecular weight of 463.62 g/mol, XLogP of 7.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7,9,9-trimethyl-7,8-dihydrofluoren-2-yl)-10a,12b-dihydropyreno[1,2-b]pyridine is sourced from PubChem (CID 89303478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).