2-spiro[5,6-dihydrobenzo[g]fluorene-7,9'-fluorene]-9-yl-1,4,4a,8a-tetrahydroquinoline

C38H29N — CID 129310657

IUPAC2-spiro[5,6-dihydrobenzo[g]fluorene-7,9'-fluorene]-9-yl-1,4,4a,8a-tetrahydroquinoline
SMILESC1=CC2CC=C(c3ccc4c(c3)C3(C5=C4c4ccccc4CC5)c4ccccc4-c4ccccc43)NC2C=C1
InChIInChI=1S/C38H29N/c1-3-11-27-24(9-1)18-21-33-37(27)30-20-17-26(36-22-19-25-10-2-8-16-35(25)39-36)23-34(30)38(33)31-14-6-4-12-28(31)29-13-5-7-15-32(29)38/h1-17,20,22-23,25,35,39H,18-19,21H2
InChIKeyDARROXWQCZNQSA-UHFFFAOYSA-N
MW499.66 g/mol
LogP8.21
Rot. Bonds1

About 2-spiro[5,6-dihydrobenzo[g]fluorene-7,9'-fluorene]-9-yl-1,4,4a,8a-tetrahydroquinoline

2-spiro[5,6-dihydrobenzo[g]fluorene-7,9'-fluorene]-9-yl-1,4,4a,8a-tetrahydroquinoline (PubChem CID 129310657) has the molecular formula C38H29N and a molecular weight of 499.66 g/mol. Its IUPAC name is 2-spiro[5,6-dihydrobenzo[g]fluorene-7,9'-fluorene]-9-yl-1,4,4a,8a-tetrahydroquinoline.

Molecular Properties

Compound Name2-spiro[5,6-dihydrobenzo[g]fluorene-7,9'-fluorene]-9-yl-1,4,4a,8a-tetrahydroquinoline
PubChem CID129310657
Molecular FormulaC38H29N
Molecular Weight499.66 g/mol
Exact Mass499.23
IUPAC Name2-spiro[5,6-dihydrobenzo[g]fluorene-7,9'-fluorene]-9-yl-1,4,4a,8a-tetrahydroquinoline
SMILESC1=CC2CC=C(c3ccc4c(c3)C3(C5=C4c4ccccc4CC5)c4ccccc4-c4ccccc43)NC2C=C1
InChIInChI=1S/C38H29N/c1-3-11-27-24(9-1)18-21-33-37(27)30-20-17-26(36-22-19-25-10-2-8-16-35(25)39-36)23-34(30)38(33)31-14-6-4-12-28(31)29-13-5-7-15-32(29)38/h1-17,20,22-23,25,35,39H,18-19,21H2
InChIKeyDARROXWQCZNQSA-UHFFFAOYSA-N
XLogP8.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.66
LogP ≤ 58.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-spiro[5,6-dihydrobenzo[g]fluorene-7,9'-fluorene]-9-yl-1,4,4a,8a-tetrahydroquinoline with MolForge

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Related Compounds

9-methylspiro[5,6-dihydrobenzo[c]fluorene-7,9'-fluorene]
CID 145137943
9-bromo-10'-phenylspiro[5,6-dihydrobenzo[c]fluorene-7,9'-acridine]
CID 142293637
11-(2,4-dichlorophenyl)spiro[5,6-dihydrobenzo[c]fluorene-7,9'-fluorene]
CID 134298783
2-[2,3,4,5,6-pentakis(9,9'-spirobi[fluorene]-2-yl)phenyl]-9,9'-spirobi[fluorene]
CID 101469787
2-cyclohexa-1,3-dien-1-yl-9,9'-spirobi[fluorene]
CID 142381902
2-[9,10-bis(9,9-dimethylfluoren-2-yl)-6,7-dihydroanthracen-2-yl]-9,9'-spirobi[fluorene]
CID 143809004
2-phenyl-4-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,4-dihydro-1,3,5-triazine
CID 152940475
2-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]
CID 140831168
2',7'-bis(9,9'-spirobi[fluorene]-1'-yl)-9,9'-spirobi[fluorene]
CID 141243906
2-(3-iodophenyl)-9,9'-spirobi[fluorene]
CID 59668504
2-cyclopenta-1,3-dien-1-yl-9,9'-spirobi[fluorene]
CID 158389745
2'-[5-(5-spiro[1,3-dihydroindene-2,9'-fluorene]-2'-ylnaphthalen-1-yl)naphthalen-1-yl]spiro[1,3-dihydroindene-2,9'-fluorene]
CID 58814378

Frequently Asked Questions

What is the IUPAC name of 2-spiro[5,6-dihydrobenzo[g]fluorene-7,9'-fluorene]-9-yl-1,4,4a,8a-tetrahydroquinoline?
The IUPAC name of 2-spiro[5,6-dihydrobenzo[g]fluorene-7,9'-fluorene]-9-yl-1,4,4a,8a-tetrahydroquinoline (CID 129310657) is 2-spiro[5,6-dihydrobenzo[g]fluorene-7,9'-fluorene]-9-yl-1,4,4a,8a-tetrahydroquinoline.
What is the SMILES notation for 2-spiro[5,6-dihydrobenzo[g]fluorene-7,9'-fluorene]-9-yl-1,4,4a,8a-tetrahydroquinoline?
The canonical SMILES for 2-spiro[5,6-dihydrobenzo[g]fluorene-7,9'-fluorene]-9-yl-1,4,4a,8a-tetrahydroquinoline is C1=CC2CC=C(c3ccc4c(c3)C3(C5=C4c4ccccc4CC5)c4ccccc4-c4ccccc43)NC2C=C1.
What is the InChIKey of 2-spiro[5,6-dihydrobenzo[g]fluorene-7,9'-fluorene]-9-yl-1,4,4a,8a-tetrahydroquinoline?
The InChIKey is DARROXWQCZNQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H29N/c1-3-11-27-24(9-1)18-21-33-37(27)30-20-17-26(36-22-19-25-10-2-8-16-35(25)39-36)23-34(30)38(33)31-14-6-4-12-28(31)29-13-5-7-15-32(29)38/h1-17,20,22-23,25,35,39H,18-19,21H2.
What are the key properties of 2-spiro[5,6-dihydrobenzo[g]fluorene-7,9'-fluorene]-9-yl-1,4,4a,8a-tetrahydroquinoline?
2-spiro[5,6-dihydrobenzo[g]fluorene-7,9'-fluorene]-9-yl-1,4,4a,8a-tetrahydroquinoline has a molecular weight of 499.66 g/mol, XLogP of 8.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-spiro[5,6-dihydrobenzo[g]fluorene-7,9'-fluorene]-9-yl-1,4,4a,8a-tetrahydroquinoline is sourced from PubChem (CID 129310657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).