spiro[5H-indeno[1,2-b]carbazole-11,9'-fluorene]

C31H19N — CID 67472219

IUPACspiro[5H-indeno[1,2-b]carbazole-11,9'-fluorene]
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc3[nH]c4ccccc4c3cc21
InChIInChI=1S/C31H19N/c1-5-13-25-19(9-1)20-10-2-6-14-26(20)31(25)27-15-7-3-11-21(27)23-18-30-24(17-28(23)31)22-12-4-8-16-29(22)32-30/h1-18,32H
InChIKeyMESAGCKSHKSODT-UHFFFAOYSA-N
MW405.50 g/mol
LogP7.66
Rot. Bonds

About spiro[5H-indeno[1,2-b]carbazole-11,9'-fluorene]

spiro[5H-indeno[1,2-b]carbazole-11,9'-fluorene] (PubChem CID 67472219) has the molecular formula C31H19N and a molecular weight of 405.50 g/mol. Its IUPAC name is spiro[5H-indeno[1,2-b]carbazole-11,9'-fluorene].

Molecular Properties

Compound Namespiro[5H-indeno[1,2-b]carbazole-11,9'-fluorene]
PubChem CID67472219
Molecular FormulaC31H19N
Molecular Weight405.50 g/mol
Exact Mass405.15
IUPAC Namespiro[5H-indeno[1,2-b]carbazole-11,9'-fluorene]
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc3[nH]c4ccccc4c3cc21
InChIInChI=1S/C31H19N/c1-5-13-25-19(9-1)20-10-2-6-14-26(20)31(25)27-15-7-3-11-21(27)23-18-30-24(17-28(23)31)22-12-4-8-16-29(22)32-30/h1-18,32H
InChIKeyMESAGCKSHKSODT-UHFFFAOYSA-N
XLogP7.66
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.50
LogP ≤ 57.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

spiro[5H-indeno[2,1-b]carbazole-7,9'-fluorene]
CID 66804950
spiro[11-azahexacyclo[14.7.1.02,14.04,12.05,10.020,24]tetracosa-1(23),2(14),3,5,7,9,12,16,18,20(24),21-undecaene-15,9'-fluorene]
CID 135273802
spiro[12H-indeno[2,1-b]fluorene-10,7'-5H-indeno[2,1-b]carbazole]
CID 159125912
11-phenyl-11-pyridin-2-yl-5H-indeno[1,2-b]carbazole
CID 135176930
9,11,11-trimethyl-5H-indeno[1,2-b]carbazole
CID 139479961
7,17,24,34-tetrazanonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1(20),2,4(16),5,8,10,12,14,18,21(33),22,25,27,29,31-pentadecaene
CID 58471811
15,15-dimethyl-5-azaheptacyclo[14.12.0.02,14.04,12.06,11.018,27.020,25]octacosa-1(28),2(14),3,6,8,10,12,16,18(27),20,22,24-dodecaene-19,26-dione
CID 70798463
11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene
CID 66805182
spiro[11H-indeno[2,1-a]carbazole-12,9'-fluorene]
CID 118343947
(7R)-2'-phenylspiro[12H-indeno[1,2-a]carbazole-7,9'-fluorene]
CID 144648667
9H-carbazole
CID 66668984
2-(9,9-dimethylfluoren-2-yl)-9H-carbazole
CID 126651978

Frequently Asked Questions

What is the IUPAC name of spiro[5H-indeno[1,2-b]carbazole-11,9'-fluorene]?
The IUPAC name of spiro[5H-indeno[1,2-b]carbazole-11,9'-fluorene] (CID 67472219) is spiro[5H-indeno[1,2-b]carbazole-11,9'-fluorene].
What is the SMILES notation for spiro[5H-indeno[1,2-b]carbazole-11,9'-fluorene]?
The canonical SMILES for spiro[5H-indeno[1,2-b]carbazole-11,9'-fluorene] is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc3[nH]c4ccccc4c3cc21.
What is the InChIKey of spiro[5H-indeno[1,2-b]carbazole-11,9'-fluorene]?
The InChIKey is MESAGCKSHKSODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19N/c1-5-13-25-19(9-1)20-10-2-6-14-26(20)31(25)27-15-7-3-11-21(27)23-18-30-24(17-28(23)31)22-12-4-8-16-29(22)32-30/h1-18,32H.
What are the key properties of spiro[5H-indeno[1,2-b]carbazole-11,9'-fluorene]?
spiro[5H-indeno[1,2-b]carbazole-11,9'-fluorene] has a molecular weight of 405.50 g/mol, XLogP of 7.66, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[5H-indeno[1,2-b]carbazole-11,9'-fluorene] is sourced from PubChem (CID 67472219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).