(2-bromophenyl)-spiro[fluorene-9,7'-indeno[1,2-a]carbazole]-12'-ylmethanone

C38H22BrNO — CID 118343905

IUPAC(2-bromophenyl)-spiro[fluorene-9,7'-indeno[1,2-a]carbazole]-12'-ylmethanone
SMILESO=C(c1ccccc1Br)n1c2ccccc2c2ccc3c(c21)-c1ccccc1C31c2ccccc2-c2ccccc21
InChIInChI=1S/C38H22BrNO/c39-33-19-9-4-15-28(33)37(41)40-34-20-10-5-13-25(34)26-21-22-32-35(36(26)40)27-14-3-8-18-31(27)38(32)29-16-6-1-11-23(29)24-12-2-7-17-30(24)38/h1-22H
InChIKeyVHLLRMJZHAGMQY-UHFFFAOYSA-N
MW588.50 g/mol
LogP9.59
Rot. Bonds1

About (2-bromophenyl)-spiro[fluorene-9,7'-indeno[1,2-a]carbazole]-12'-ylmethanone

(2-bromophenyl)-spiro[fluorene-9,7'-indeno[1,2-a]carbazole]-12'-ylmethanone (PubChem CID 118343905) has the molecular formula C38H22BrNO and a molecular weight of 588.50 g/mol. Its IUPAC name is (2-bromophenyl)-spiro[fluorene-9,7'-indeno[1,2-a]carbazole]-12'-ylmethanone.

Molecular Properties

Compound Name(2-bromophenyl)-spiro[fluorene-9,7'-indeno[1,2-a]carbazole]-12'-ylmethanone
PubChem CID118343905
Molecular FormulaC38H22BrNO
Molecular Weight588.50 g/mol
Exact Mass587.09
IUPAC Name(2-bromophenyl)-spiro[fluorene-9,7'-indeno[1,2-a]carbazole]-12'-ylmethanone
SMILESO=C(c1ccccc1Br)n1c2ccccc2c2ccc3c(c21)-c1ccccc1C31c2ccccc2-c2ccccc21
InChIInChI=1S/C38H22BrNO/c39-33-19-9-4-15-28(33)37(41)40-34-20-10-5-13-25(34)26-21-22-32-35(36(26)40)27-14-3-8-18-31(27)38(32)29-16-6-1-11-23(29)24-12-2-7-17-30(24)38/h1-22H
InChIKeyVHLLRMJZHAGMQY-UHFFFAOYSA-N
XLogP9.59
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 ≤ 59.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2-spiro[fluorene-9,7'-indeno[1,2-a]carbazole]-12'-ylphenyl)phenyl]boronic acid
CID 123923323
CID 134551739
CID 134551739
spiro[1-azaheptacyclo[13.11.1.02,14.03,11.04,9.019,27.020,25]heptacosa-2(14),3(11),4,6,8,12,15,17,19(27),20,22,24-dodecaene-10,9'-fluorene]-26-one
CID 118343951
12'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole];ethane
CID 145066280
12'-dibenzofuran-2-ylspiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 90253710
12'-(19-thiapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-7-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 169060832
12'-[4,6-bis(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 90247348
bis(9,9'-spirobi[fluorene]-4'-yl)methanone
CID 90059622
4-bromospiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]
CID 121391692
12'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 90247208
12-triphenylen-2-ylspiro[indeno[1,2-a]carbazole-7,9'-xanthene]
CID 118614900
12'-[2-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 169014850

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-spiro[fluorene-9,7'-indeno[1,2-a]carbazole]-12'-ylmethanone?
The IUPAC name of (2-bromophenyl)-spiro[fluorene-9,7'-indeno[1,2-a]carbazole]-12'-ylmethanone (CID 118343905) is (2-bromophenyl)-spiro[fluorene-9,7'-indeno[1,2-a]carbazole]-12'-ylmethanone.
What is the SMILES notation for (2-bromophenyl)-spiro[fluorene-9,7'-indeno[1,2-a]carbazole]-12'-ylmethanone?
The canonical SMILES for (2-bromophenyl)-spiro[fluorene-9,7'-indeno[1,2-a]carbazole]-12'-ylmethanone is O=C(c1ccccc1Br)n1c2ccccc2c2ccc3c(c21)-c1ccccc1C31c2ccccc2-c2ccccc21.
What is the InChIKey of (2-bromophenyl)-spiro[fluorene-9,7'-indeno[1,2-a]carbazole]-12'-ylmethanone?
The InChIKey is VHLLRMJZHAGMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22BrNO/c39-33-19-9-4-15-28(33)37(41)40-34-20-10-5-13-25(34)26-21-22-32-35(36(26)40)27-14-3-8-18-31(27)38(32)29-16-6-1-11-23(29)24-12-2-7-17-30(24)38/h1-22H.
What are the key properties of (2-bromophenyl)-spiro[fluorene-9,7'-indeno[1,2-a]carbazole]-12'-ylmethanone?
(2-bromophenyl)-spiro[fluorene-9,7'-indeno[1,2-a]carbazole]-12'-ylmethanone has a molecular weight of 588.50 g/mol, XLogP of 9.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-spiro[fluorene-9,7'-indeno[1,2-a]carbazole]-12'-ylmethanone is sourced from PubChem (CID 118343905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).