11-methyl-12-[5-(11-methylindolo[2,3-a]carbazol-12-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]indolo[2,3-a]carbazole

C51H34F3N5 — CID 146393955

IUPAC11-methyl-12-[5-(11-methylindolo[2,3-a]carbazol-12-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]indolo[2,3-a]carbazole
SMILESCc1cc(-c2cc(-n3c4ccccc4c4ccc5c6ccccc6n(C)c5c43)ncc2-n2c3ccccc3c3ccc4c5ccccc5n(C)c4c32)cc(C(F)(F)F)c1
InChIInChI=1S/C51H34F3N5/c1-29-24-30(26-31(25-29)51(52,53)54)40-27-46(59-44-19-11-7-15-35(44)39-23-21-37-33-13-5-9-17-42(33)57(3)48(37)50(39)59)55-28-45(40)58-43-18-10-6-14-34(43)38-22-20-36-32-12-4-8-16-41(32)56(2)47(36)49(38)58/h4-28H,1-3H3
InChIKeyREICKWVRFMCGNS-UHFFFAOYSA-N
MW773.86 g/mol
LogP13.56
Rot. Bonds3

About 11-methyl-12-[5-(11-methylindolo[2,3-a]carbazol-12-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]indolo[2,3-a]carbazole

11-methyl-12-[5-(11-methylindolo[2,3-a]carbazol-12-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]indolo[2,3-a]carbazole (PubChem CID 146393955) has the molecular formula C51H34F3N5 and a molecular weight of 773.86 g/mol. Its IUPAC name is 11-methyl-12-[5-(11-methylindolo[2,3-a]carbazol-12-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]indolo[2,3-a]carbazole.

Molecular Properties

Compound Name11-methyl-12-[5-(11-methylindolo[2,3-a]carbazol-12-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]indolo[2,3-a]carbazole
PubChem CID146393955
Molecular FormulaC51H34F3N5
Molecular Weight773.86 g/mol
Exact Mass773.28
IUPAC Name11-methyl-12-[5-(11-methylindolo[2,3-a]carbazol-12-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]indolo[2,3-a]carbazole
SMILESCc1cc(-c2cc(-n3c4ccccc4c4ccc5c6ccccc6n(C)c5c43)ncc2-n2c3ccccc3c3ccc4c5ccccc5n(C)c4c32)cc(C(F)(F)F)c1
InChIInChI=1S/C51H34F3N5/c1-29-24-30(26-31(25-29)51(52,53)54)40-27-46(59-44-19-11-7-15-35(44)39-23-21-37-33-13-5-9-17-42(33)57(3)48(37)50(39)59)55-28-45(40)58-43-18-10-6-14-34(43)38-22-20-36-32-12-4-8-16-41(32)56(2)47(36)49(38)58/h4-28H,1-3H3
InChIKeyREICKWVRFMCGNS-UHFFFAOYSA-N
XLogP13.56
TPSA32.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500773.86
LogP ≤ 513.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 11-methyl-12-[5-(11-methylindolo[2,3-a]carbazol-12-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]indolo[2,3-a]carbazole?
The IUPAC name of 11-methyl-12-[5-(11-methylindolo[2,3-a]carbazol-12-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]indolo[2,3-a]carbazole (CID 146393955) is 11-methyl-12-[5-(11-methylindolo[2,3-a]carbazol-12-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]indolo[2,3-a]carbazole.
What is the SMILES notation for 11-methyl-12-[5-(11-methylindolo[2,3-a]carbazol-12-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]indolo[2,3-a]carbazole?
The canonical SMILES for 11-methyl-12-[5-(11-methylindolo[2,3-a]carbazol-12-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]indolo[2,3-a]carbazole is Cc1cc(-c2cc(-n3c4ccccc4c4ccc5c6ccccc6n(C)c5c43)ncc2-n2c3ccccc3c3ccc4c5ccccc5n(C)c4c32)cc(C(F)(F)F)c1.
What is the InChIKey of 11-methyl-12-[5-(11-methylindolo[2,3-a]carbazol-12-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]indolo[2,3-a]carbazole?
The InChIKey is REICKWVRFMCGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34F3N5/c1-29-24-30(26-31(25-29)51(52,53)54)40-27-46(59-44-19-11-7-15-35(44)39-23-21-37-33-13-5-9-17-42(33)57(3)48(37)50(39)59)55-28-45(40)58-43-18-10-6-14-34(43)38-22-20-36-32-12-4-8-16-41(32)56(2)47(36)49(38)58/h4-28H,1-3H3.
What are the key properties of 11-methyl-12-[5-(11-methylindolo[2,3-a]carbazol-12-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]indolo[2,3-a]carbazole?
11-methyl-12-[5-(11-methylindolo[2,3-a]carbazol-12-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]indolo[2,3-a]carbazole has a molecular weight of 773.86 g/mol, XLogP of 13.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-12-[5-(11-methylindolo[2,3-a]carbazol-12-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]indolo[2,3-a]carbazole is sourced from PubChem (CID 146393955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).