9-[6-(2-iodo-4,4,5,5-tetramethylimidazol-1-yl)-3-pyridinyl]-5-[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-3-pyridinyl]-7-phenylbenzo[c]carbazole

C47H46IN7 — CID 135252956

IUPAC9-[6-(2-iodo-4,4,5,5-tetramethylimidazol-1-yl)-3-pyridinyl]-5-[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-3-pyridinyl]-7-phenylbenzo[c]carbazole
SMILESCC1=NC(C)(C)C(C)(C)N1c1ccc(-c2cc3c(c4ccccc24)c2ccc(-c4ccc(N5C(I)=NC(C)(C)C5(C)C)nc4)cc2n3-c2ccccc2)cn1
InChIInChI=1S/C47H46IN7/c1-29-51-44(2,3)46(6,7)54(29)40-24-21-32(28-50-40)37-26-39-42(35-18-14-13-17-34(35)37)36-22-19-30(25-38(36)53(39)33-15-11-10-12-16-33)31-20-23-41(49-27-31)55-43(48)52-45(4,5)47(55,8)9/h10-28H,1-9H3
InChIKeyKYHSKBIWEZXVPS-UHFFFAOYSA-N
MW835.84 g/mol
LogP12.02
Rot. Bonds5

About 9-[6-(2-iodo-4,4,5,5-tetramethylimidazol-1-yl)-3-pyridinyl]-5-[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-3-pyridinyl]-7-phenylbenzo[c]carbazole

9-[6-(2-iodo-4,4,5,5-tetramethylimidazol-1-yl)-3-pyridinyl]-5-[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-3-pyridinyl]-7-phenylbenzo[c]carbazole (PubChem CID 135252956) has the molecular formula C47H46IN7 and a molecular weight of 835.84 g/mol. Its IUPAC name is 9-[6-(2-iodo-4,4,5,5-tetramethylimidazol-1-yl)-3-pyridinyl]-5-[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-3-pyridinyl]-7-phenylbenzo[c]carbazole.

Molecular Properties

Compound Name9-[6-(2-iodo-4,4,5,5-tetramethylimidazol-1-yl)-3-pyridinyl]-5-[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-3-pyridinyl]-7-phenylbenzo[c]carbazole
PubChem CID135252956
Molecular FormulaC47H46IN7
Molecular Weight835.84 g/mol
Exact Mass835.29
IUPAC Name9-[6-(2-iodo-4,4,5,5-tetramethylimidazol-1-yl)-3-pyridinyl]-5-[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-3-pyridinyl]-7-phenylbenzo[c]carbazole
SMILESCC1=NC(C)(C)C(C)(C)N1c1ccc(-c2cc3c(c4ccccc24)c2ccc(-c4ccc(N5C(I)=NC(C)(C)C5(C)C)nc4)cc2n3-c2ccccc2)cn1
InChIInChI=1S/C47H46IN7/c1-29-51-44(2,3)46(6,7)54(29)40-24-21-32(28-50-40)37-26-39-42(35-18-14-13-17-34(35)37)36-22-19-30(25-38(36)53(39)33-15-11-10-12-16-33)31-20-23-41(49-27-31)55-43(48)52-45(4,5)47(55,8)9/h10-28H,1-9H3
InChIKeyKYHSKBIWEZXVPS-UHFFFAOYSA-N
XLogP12.02
TPSA61.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500835.84
LogP ≤ 512.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 9-[6-(2-iodo-4,4,5,5-tetramethylimidazol-1-yl)-3-pyridinyl]-5-[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-3-pyridinyl]-7-phenylbenzo[c]carbazole with MolForge

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Related Compounds

2-(2,4,4,5,5-pentamethylimidazol-1-yl)-5-[5-[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-3-pyridinyl]naphtho[2,1-b][1]benzothiol-9-yl]pyridine
CID 135250436
9-naphthalen-2-yl-7-phenyl-5-[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]benzo[c]carbazole
CID 135249802
7-phenyl-5,9-bis(6-pyridin-2-yl-3-pyridinyl)benzo[c]carbazole
CID 141295897
2-(2,4,4,5,5-pentamethylimidazol-1-yl)-5-[9-[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-3-pyridinyl]-7,7-diphenylbenzo[c]fluoren-5-yl]pyridine
CID 135250038
4,4,5,5-tetramethyl-2-[5-(9-naphthalen-2-yl-7-phenylbenzo[c]carbazol-5-yl)-2-pyridinyl]-1,3-oxazole
CID 135249789
4-(5,7-diphenylbenzo[g]carbazol-9-yl)pyridine-2-carbonitrile
CID 118397508
3,9-bis[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-2-pyridinyl]-11-phenylbenzo[a]carbazole
CID 135250189
5-[4-[5-[4-(5-cyano-3-pyridinyl)phenyl]-7-phenylbenzo[g]carbazol-9-yl]phenyl]pyridine-3-carbonitrile
CID 118397694
9-[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-3-[9-[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]carbazol-3-yl]carbazole;9-[3-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]-3-[9-[3-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]carbazol-3-yl]carbazole;9-[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]-3-[9-[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]carbazol-3-yl]carbazole;9-[4-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)phenyl]-3-[9-[4-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)phenyl]carbazol-3-yl]carbazole
CID 158675235
5-[3-(6-methyl-2-pyridinyl)phenyl]-9-naphthalen-2-yl-7-phenylbenzo[c]carbazole
CID 118895360
3-(9-phenylcarbazol-3-yl)-9-(5-phenyl-2-pyridinyl)carbazole
CID 118581881
9-[3-(5-isocyano-3-pyridinyl)phenyl]-5,7-diphenylbenzo[c]carbazole
CID 140768957

Frequently Asked Questions

What is the IUPAC name of 9-[6-(2-iodo-4,4,5,5-tetramethylimidazol-1-yl)-3-pyridinyl]-5-[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-3-pyridinyl]-7-phenylbenzo[c]carbazole?
The IUPAC name of 9-[6-(2-iodo-4,4,5,5-tetramethylimidazol-1-yl)-3-pyridinyl]-5-[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-3-pyridinyl]-7-phenylbenzo[c]carbazole (CID 135252956) is 9-[6-(2-iodo-4,4,5,5-tetramethylimidazol-1-yl)-3-pyridinyl]-5-[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-3-pyridinyl]-7-phenylbenzo[c]carbazole.
What is the SMILES notation for 9-[6-(2-iodo-4,4,5,5-tetramethylimidazol-1-yl)-3-pyridinyl]-5-[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-3-pyridinyl]-7-phenylbenzo[c]carbazole?
The canonical SMILES for 9-[6-(2-iodo-4,4,5,5-tetramethylimidazol-1-yl)-3-pyridinyl]-5-[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-3-pyridinyl]-7-phenylbenzo[c]carbazole is CC1=NC(C)(C)C(C)(C)N1c1ccc(-c2cc3c(c4ccccc24)c2ccc(-c4ccc(N5C(I)=NC(C)(C)C5(C)C)nc4)cc2n3-c2ccccc2)cn1.
What is the InChIKey of 9-[6-(2-iodo-4,4,5,5-tetramethylimidazol-1-yl)-3-pyridinyl]-5-[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-3-pyridinyl]-7-phenylbenzo[c]carbazole?
The InChIKey is KYHSKBIWEZXVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H46IN7/c1-29-51-44(2,3)46(6,7)54(29)40-24-21-32(28-50-40)37-26-39-42(35-18-14-13-17-34(35)37)36-22-19-30(25-38(36)53(39)33-15-11-10-12-16-33)31-20-23-41(49-27-31)55-43(48)52-45(4,5)47(55,8)9/h10-28H,1-9H3.
What are the key properties of 9-[6-(2-iodo-4,4,5,5-tetramethylimidazol-1-yl)-3-pyridinyl]-5-[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-3-pyridinyl]-7-phenylbenzo[c]carbazole?
9-[6-(2-iodo-4,4,5,5-tetramethylimidazol-1-yl)-3-pyridinyl]-5-[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-3-pyridinyl]-7-phenylbenzo[c]carbazole has a molecular weight of 835.84 g/mol, XLogP of 12.02, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-(2-iodo-4,4,5,5-tetramethylimidazol-1-yl)-3-pyridinyl]-5-[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-3-pyridinyl]-7-phenylbenzo[c]carbazole is sourced from PubChem (CID 135252956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).