5'-(4-tert-butyl-2-pyridinyl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole]-3'-ol

C40H30N2O — CID 177099177

IUPAC5'-(4-tert-butyl-2-pyridinyl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole]-3'-ol
SMILESCC(C)(C)c1ccnc(-n2c3cc(O)ccc3c3cc4c(cc32)C2(c3ccccc3-c3ccccc32)c2ccccc2-4)c1
InChIInChI=1S/C40H30N2O/c1-39(2,3)24-18-19-41-38(20-24)42-36-21-25(43)16-17-29(36)31-22-30-28-12-6-9-15-34(28)40(35(30)23-37(31)42)32-13-7-4-10-26(32)27-11-5-8-14-33(27)40/h4-23,43H,1-3H3
InChIKeyRPCLUPLNUGUKKG-UHFFFAOYSA-N
MW554.69 g/mol
LogP9.53
Rot. Bonds1

About 5'-(4-tert-butyl-2-pyridinyl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole]-3'-ol

5'-(4-tert-butyl-2-pyridinyl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole]-3'-ol (PubChem CID 177099177) has the molecular formula C40H30N2O and a molecular weight of 554.69 g/mol. Its IUPAC name is 5'-(4-tert-butyl-2-pyridinyl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole]-3'-ol.

Molecular Properties

Compound Name5'-(4-tert-butyl-2-pyridinyl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole]-3'-ol
PubChem CID177099177
Molecular FormulaC40H30N2O
Molecular Weight554.69 g/mol
Exact Mass554.24
IUPAC Name5'-(4-tert-butyl-2-pyridinyl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole]-3'-ol
SMILESCC(C)(C)c1ccnc(-n2c3cc(O)ccc3c3cc4c(cc32)C2(c3ccccc3-c3ccccc32)c2ccccc2-4)c1
InChIInChI=1S/C40H30N2O/c1-39(2,3)24-18-19-41-38(20-24)42-36-21-25(43)16-17-29(36)31-22-30-28-12-6-9-15-34(28)40(35(30)23-37(31)42)32-13-7-4-10-26(32)27-11-5-8-14-33(27)40/h4-23,43H,1-3H3
InChIKeyRPCLUPLNUGUKKG-UHFFFAOYSA-N
XLogP9.53
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.69
LogP ≤ 59.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5'-(4-tert-butyl-2-pyridinyl)-3'-methoxyspiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 177099215
9-[4-[2-(3,5-ditert-butylphenyl)propan-2-yl]-2-pyridinyl]carbazol-2-ol
CID 139035892
9-(4-tert-butyl-2-pyridinyl)-6-fluorocarbazol-2-ol
CID 167432956
9-(4-tert-butyl-2-pyridinyl)carbazole
CID 141429222
[1-[3-[5-(4-tert-butyl-2-pyridinyl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene]-3-yl]oxyphenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
CID 177099196
CID 167399482
CID 167399482
2-[9-[3-tert-butyl-5-[5,6-dimethyl-3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]fluoren-9-yl]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155606679
2-[9-[3-tert-butyl-5-(3,5-dimethyl-2H-benzimidazol-1-yl)phenyl]fluoren-9-yl]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155606627
9-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]carbazol-2-ol
CID 171608916
CID 167399389
CID 167399389
5-pyrimidin-2-yl-5'-(1,3,5-triazin-2-yl)-7,7'-spirobi[indeno[2,1-b]carbazole]
CID 66805164
22-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-5-(9,9'-spirobi[fluorene]-3-yl)-20,22-diazahexacyclo[18.6.1.02,7.08,13.014,19.023,27]heptacosa-1(27),2(7),3,5,8,10,12,14,16,18,23,25-dodecaene
CID 177303449

Frequently Asked Questions

What is the IUPAC name of 5'-(4-tert-butyl-2-pyridinyl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole]-3'-ol?
The IUPAC name of 5'-(4-tert-butyl-2-pyridinyl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole]-3'-ol (CID 177099177) is 5'-(4-tert-butyl-2-pyridinyl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole]-3'-ol.
What is the SMILES notation for 5'-(4-tert-butyl-2-pyridinyl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole]-3'-ol?
The canonical SMILES for 5'-(4-tert-butyl-2-pyridinyl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole]-3'-ol is CC(C)(C)c1ccnc(-n2c3cc(O)ccc3c3cc4c(cc32)C2(c3ccccc3-c3ccccc32)c2ccccc2-4)c1.
What is the InChIKey of 5'-(4-tert-butyl-2-pyridinyl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole]-3'-ol?
The InChIKey is RPCLUPLNUGUKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H30N2O/c1-39(2,3)24-18-19-41-38(20-24)42-36-21-25(43)16-17-29(36)31-22-30-28-12-6-9-15-34(28)40(35(30)23-37(31)42)32-13-7-4-10-26(32)27-11-5-8-14-33(27)40/h4-23,43H,1-3H3.
What are the key properties of 5'-(4-tert-butyl-2-pyridinyl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole]-3'-ol?
5'-(4-tert-butyl-2-pyridinyl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole]-3'-ol has a molecular weight of 554.69 g/mol, XLogP of 9.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-(4-tert-butyl-2-pyridinyl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole]-3'-ol is sourced from PubChem (CID 177099177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).