5-(3-phenylbenzo[f]chromen-3-yl)-2,3-dihydro-1H-indole

C27H21NO — CID 19378311

IUPAC5-(3-phenylbenzo[f]chromen-3-yl)-2,3-dihydro-1H-indole
SMILESC1=CC(c2ccccc2)(c2ccc3c(c2)CCN3)Oc2ccc3ccccc3c21
InChIInChI=1S/C27H21NO/c1-2-7-21(8-3-1)27(22-11-12-25-20(18-22)15-17-28-25)16-14-24-23-9-5-4-6-19(23)10-13-26(24)29-27/h1-14,16,18,28H,15,17H2
InChIKeyUQJXTLVROCDKMC-UHFFFAOYSA-N
MW375.47 g/mol
LogP6.16
Rot. Bonds2

About 5-(3-phenylbenzo[f]chromen-3-yl)-2,3-dihydro-1H-indole

5-(3-phenylbenzo[f]chromen-3-yl)-2,3-dihydro-1H-indole (PubChem CID 19378311) has the molecular formula C27H21NO and a molecular weight of 375.47 g/mol. Its IUPAC name is 5-(3-phenylbenzo[f]chromen-3-yl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-(3-phenylbenzo[f]chromen-3-yl)-2,3-dihydro-1H-indole
PubChem CID19378311
Molecular FormulaC27H21NO
Molecular Weight375.47 g/mol
Exact Mass375.16
IUPAC Name5-(3-phenylbenzo[f]chromen-3-yl)-2,3-dihydro-1H-indole
SMILESC1=CC(c2ccccc2)(c2ccc3c(c2)CCN3)Oc2ccc3ccccc3c21
InChIInChI=1S/C27H21NO/c1-2-7-21(8-3-1)27(22-11-12-25-20(18-22)15-17-28-25)16-14-24-23-9-5-4-6-19(23)10-13-26(24)29-27/h1-14,16,18,28H,15,17H2
InChIKeyUQJXTLVROCDKMC-UHFFFAOYSA-N
XLogP6.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.47
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3-phenylbenzo[f]chromen-3-yl)-2,3-dihydro-1H-indole?
The IUPAC name of 5-(3-phenylbenzo[f]chromen-3-yl)-2,3-dihydro-1H-indole (CID 19378311) is 5-(3-phenylbenzo[f]chromen-3-yl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-(3-phenylbenzo[f]chromen-3-yl)-2,3-dihydro-1H-indole?
The canonical SMILES for 5-(3-phenylbenzo[f]chromen-3-yl)-2,3-dihydro-1H-indole is C1=CC(c2ccccc2)(c2ccc3c(c2)CCN3)Oc2ccc3ccccc3c21.
What is the InChIKey of 5-(3-phenylbenzo[f]chromen-3-yl)-2,3-dihydro-1H-indole?
The InChIKey is UQJXTLVROCDKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21NO/c1-2-7-21(8-3-1)27(22-11-12-25-20(18-22)15-17-28-25)16-14-24-23-9-5-4-6-19(23)10-13-26(24)29-27/h1-14,16,18,28H,15,17H2.
What are the key properties of 5-(3-phenylbenzo[f]chromen-3-yl)-2,3-dihydro-1H-indole?
5-(3-phenylbenzo[f]chromen-3-yl)-2,3-dihydro-1H-indole has a molecular weight of 375.47 g/mol, XLogP of 6.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-phenylbenzo[f]chromen-3-yl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 19378311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).