2'-bromo-5'-phenylspiro[anthracene-10,7'-indeno[2,1-b]carbazole]-9-one

C38H22BrNO — CID 71249557

IUPAC2'-bromo-5'-phenylspiro[anthracene-10,7'-indeno[2,1-b]carbazole]-9-one
SMILESO=C1c2ccccc2C2(c3ccccc31)c1ccccc1-c1cc3c4cc(Br)ccc4n(-c4ccccc4)c3cc12
InChIInChI=1S/C38H22BrNO/c39-23-18-19-35-29(20-23)30-21-28-25-12-4-7-15-31(25)38(34(28)22-36(30)40(35)24-10-2-1-3-11-24)32-16-8-5-13-26(32)37(41)27-14-6-9-17-33(27)38/h1-22H
InChIKeyJNFAZWHGTXRUDJ-UHFFFAOYSA-N
MW588.50 g/mol
LogP9.45
Rot. Bonds1

About 2'-bromo-5'-phenylspiro[anthracene-10,7'-indeno[2,1-b]carbazole]-9-one

2'-bromo-5'-phenylspiro[anthracene-10,7'-indeno[2,1-b]carbazole]-9-one (PubChem CID 71249557) has the molecular formula C38H22BrNO and a molecular weight of 588.50 g/mol. Its IUPAC name is 2'-bromo-5'-phenylspiro[anthracene-10,7'-indeno[2,1-b]carbazole]-9-one.

Molecular Properties

Compound Name2'-bromo-5'-phenylspiro[anthracene-10,7'-indeno[2,1-b]carbazole]-9-one
PubChem CID71249557
Molecular FormulaC38H22BrNO
Molecular Weight588.50 g/mol
Exact Mass587.09
IUPAC Name2'-bromo-5'-phenylspiro[anthracene-10,7'-indeno[2,1-b]carbazole]-9-one
SMILESO=C1c2ccccc2C2(c3ccccc31)c1ccccc1-c1cc3c4cc(Br)ccc4n(-c4ccccc4)c3cc12
InChIInChI=1S/C38H22BrNO/c39-23-18-19-35-29(20-23)30-21-28-25-12-4-7-15-31(25)38(34(28)22-36(30)40(35)24-10-2-1-3-11-24)32-16-8-5-13-26(32)37(41)27-14-6-9-17-33(27)38/h1-22H
InChIKeyJNFAZWHGTXRUDJ-UHFFFAOYSA-N
XLogP9.45
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.50
LogP ≤ 59.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2'-bromo-5'-phenylspiro[anthracene-10,7'-indeno[2,1-b]carbazole]-9-one?
The IUPAC name of 2'-bromo-5'-phenylspiro[anthracene-10,7'-indeno[2,1-b]carbazole]-9-one (CID 71249557) is 2'-bromo-5'-phenylspiro[anthracene-10,7'-indeno[2,1-b]carbazole]-9-one.
What is the SMILES notation for 2'-bromo-5'-phenylspiro[anthracene-10,7'-indeno[2,1-b]carbazole]-9-one?
The canonical SMILES for 2'-bromo-5'-phenylspiro[anthracene-10,7'-indeno[2,1-b]carbazole]-9-one is O=C1c2ccccc2C2(c3ccccc31)c1ccccc1-c1cc3c4cc(Br)ccc4n(-c4ccccc4)c3cc12.
What is the InChIKey of 2'-bromo-5'-phenylspiro[anthracene-10,7'-indeno[2,1-b]carbazole]-9-one?
The InChIKey is JNFAZWHGTXRUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22BrNO/c39-23-18-19-35-29(20-23)30-21-28-25-12-4-7-15-31(25)38(34(28)22-36(30)40(35)24-10-2-1-3-11-24)32-16-8-5-13-26(32)37(41)27-14-6-9-17-33(27)38/h1-22H.
What are the key properties of 2'-bromo-5'-phenylspiro[anthracene-10,7'-indeno[2,1-b]carbazole]-9-one?
2'-bromo-5'-phenylspiro[anthracene-10,7'-indeno[2,1-b]carbazole]-9-one has a molecular weight of 588.50 g/mol, XLogP of 9.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-bromo-5'-phenylspiro[anthracene-10,7'-indeno[2,1-b]carbazole]-9-one is sourced from PubChem (CID 71249557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).