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

C41H32N2O — CID 177099215

IUPAC5'-(4-tert-butyl-2-pyridinyl)-3'-methoxyspiro[fluorene-9,7'-indeno[2,1-b]carbazole]
SMILESCOc1ccc2c3cc4c(cc3n(-c3cc(C(C)(C)C)ccn3)c2c1)C1(c2ccccc2-c2ccccc21)c1ccccc1-4
InChIInChI=1S/C41H32N2O/c1-40(2,3)25-19-20-42-39(21-25)43-37-22-26(44-4)17-18-30(37)32-23-31-29-13-7-10-16-35(29)41(36(31)24-38(32)43)33-14-8-5-11-27(33)28-12-6-9-15-34(28)41/h5-24H,1-4H3
InChIKeyBLBSNQLTBLZGQP-UHFFFAOYSA-N
MW568.72 g/mol
LogP9.83
Rot. Bonds2

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

5'-(4-tert-butyl-2-pyridinyl)-3'-methoxyspiro[fluorene-9,7'-indeno[2,1-b]carbazole] (PubChem CID 177099215) has the molecular formula C41H32N2O and a molecular weight of 568.72 g/mol. Its IUPAC name is 5'-(4-tert-butyl-2-pyridinyl)-3'-methoxyspiro[fluorene-9,7'-indeno[2,1-b]carbazole].

Molecular Properties

Compound Name5'-(4-tert-butyl-2-pyridinyl)-3'-methoxyspiro[fluorene-9,7'-indeno[2,1-b]carbazole]
PubChem CID177099215
Molecular FormulaC41H32N2O
Molecular Weight568.72 g/mol
Exact Mass568.25
IUPAC Name5'-(4-tert-butyl-2-pyridinyl)-3'-methoxyspiro[fluorene-9,7'-indeno[2,1-b]carbazole]
SMILESCOc1ccc2c3cc4c(cc3n(-c3cc(C(C)(C)C)ccn3)c2c1)C1(c2ccccc2-c2ccccc21)c1ccccc1-4
InChIInChI=1S/C41H32N2O/c1-40(2,3)25-19-20-42-39(21-25)43-37-22-26(44-4)17-18-30(37)32-23-31-29-13-7-10-16-35(29)41(36(31)24-38(32)43)33-14-8-5-11-27(33)28-12-6-9-15-34(28)41/h5-24H,1-4H3
InChIKeyBLBSNQLTBLZGQP-UHFFFAOYSA-N
XLogP9.83
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.72
LogP ≤ 59.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5'-(4-tert-butyl-2-pyridinyl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole]-3'-ol
CID 177099177
[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
2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-9-pyridin-2-ylcarbazole
CID 160515375
9-(4-tert-butyl-2-pyridinyl)carbazole
CID 141429222
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
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 177303457
CID 177303491
CID 177303491
[1-(3,5-ditert-butylphenyl)-3-[3-(5-pyridin-2-ylspiro[indeno[2,1-b]carbazole-7,9'-xanthene]-3-yl)oxyphenyl]benzimidazol-2-ylidene]platinum
CID 177099275
9-[4-(2-bromophenyl)-2-pyridinyl]-2-methoxycarbazole
CID 168810843
2-[3-[3-[2,6-bis[3-(9-phenylfluoren-9-yl)phenyl]phenyl]benzimidazole-1,3-diium-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 177303354
2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-7-(9-phenylfluoren-9-yl)carbazole
CID 172545781
N-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-N-methyl-5-(9,9'-spirobi[fluorene]-2-yl)-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2(7),3,5,8,10,12,14(19),15,17,21,23-dodecaen-18-amine
CID 177303365

Frequently Asked Questions

What is the IUPAC name of 5'-(4-tert-butyl-2-pyridinyl)-3'-methoxyspiro[fluorene-9,7'-indeno[2,1-b]carbazole]?
The IUPAC name of 5'-(4-tert-butyl-2-pyridinyl)-3'-methoxyspiro[fluorene-9,7'-indeno[2,1-b]carbazole] (CID 177099215) is 5'-(4-tert-butyl-2-pyridinyl)-3'-methoxyspiro[fluorene-9,7'-indeno[2,1-b]carbazole].
What is the SMILES notation for 5'-(4-tert-butyl-2-pyridinyl)-3'-methoxyspiro[fluorene-9,7'-indeno[2,1-b]carbazole]?
The canonical SMILES for 5'-(4-tert-butyl-2-pyridinyl)-3'-methoxyspiro[fluorene-9,7'-indeno[2,1-b]carbazole] is COc1ccc2c3cc4c(cc3n(-c3cc(C(C)(C)C)ccn3)c2c1)C1(c2ccccc2-c2ccccc21)c1ccccc1-4.
What is the InChIKey of 5'-(4-tert-butyl-2-pyridinyl)-3'-methoxyspiro[fluorene-9,7'-indeno[2,1-b]carbazole]?
The InChIKey is BLBSNQLTBLZGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H32N2O/c1-40(2,3)25-19-20-42-39(21-25)43-37-22-26(44-4)17-18-30(37)32-23-31-29-13-7-10-16-35(29)41(36(31)24-38(32)43)33-14-8-5-11-27(33)28-12-6-9-15-34(28)41/h5-24H,1-4H3.
What are the key properties of 5'-(4-tert-butyl-2-pyridinyl)-3'-methoxyspiro[fluorene-9,7'-indeno[2,1-b]carbazole]?
5'-(4-tert-butyl-2-pyridinyl)-3'-methoxyspiro[fluorene-9,7'-indeno[2,1-b]carbazole] has a molecular weight of 568.72 g/mol, XLogP of 9.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-(4-tert-butyl-2-pyridinyl)-3'-methoxyspiro[fluorene-9,7'-indeno[2,1-b]carbazole] is sourced from PubChem (CID 177099215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).