9-[3-[4-methyl-3-[9-methyl-9-(trideuteriomethyl)xanthen-4-yl]-2-(trideuteriomethyl)phenyl]phenyl]carbazole

C41H33NO — CID 158992744

IUPAC9-[3-[4-methyl-3-[9-methyl-9-(trideuteriomethyl)xanthen-4-yl]-2-(trideuteriomethyl)phenyl]phenyl]carbazole
SMILES[2H]C([2H])([2H])c1c(-c2cccc(-n3c4ccccc4c4ccccc43)c2)ccc(C)c1-c1cccc2c1Oc1ccccc1C2(C)C([2H])([2H])[2H]
InChIInChI=1S/C41H33NO/c1-26-23-24-30(27(2)39(26)33-17-12-19-35-40(33)43-38-22-10-7-18-34(38)41(35,3)4)28-13-11-14-29(25-28)42-36-20-8-5-15-31(36)32-16-6-9-21-37(32)42/h5-25H,1-4H3/i2D3,3D3
InChIKeyQFQNYUXAXLEUKZ-XERRXZQWSA-N
MW561.76 g/mol
LogP11.17
Rot. Bonds5

About 9-[3-[4-methyl-3-[9-methyl-9-(trideuteriomethyl)xanthen-4-yl]-2-(trideuteriomethyl)phenyl]phenyl]carbazole

9-[3-[4-methyl-3-[9-methyl-9-(trideuteriomethyl)xanthen-4-yl]-2-(trideuteriomethyl)phenyl]phenyl]carbazole (PubChem CID 158992744) has the molecular formula C41H33NO and a molecular weight of 561.76 g/mol. Its IUPAC name is 9-[3-[4-methyl-3-[9-methyl-9-(trideuteriomethyl)xanthen-4-yl]-2-(trideuteriomethyl)phenyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[3-[4-methyl-3-[9-methyl-9-(trideuteriomethyl)xanthen-4-yl]-2-(trideuteriomethyl)phenyl]phenyl]carbazole
PubChem CID158992744
Molecular FormulaC41H33NO
Molecular Weight561.76 g/mol
Exact Mass561.29
IUPAC Name9-[3-[4-methyl-3-[9-methyl-9-(trideuteriomethyl)xanthen-4-yl]-2-(trideuteriomethyl)phenyl]phenyl]carbazole
SMILES[2H]C([2H])([2H])c1c(-c2cccc(-n3c4ccccc4c4ccccc43)c2)ccc(C)c1-c1cccc2c1Oc1ccccc1C2(C)C([2H])([2H])[2H]
InChIInChI=1S/C41H33NO/c1-26-23-24-30(27(2)39(26)33-17-12-19-35-40(33)43-38-22-10-7-18-34(38)41(35,3)4)28-13-11-14-29(25-28)42-36-20-8-5-15-31(36)32-16-6-9-21-37(32)42/h5-25H,1-4H3/i2D3,3D3
InChIKeyQFQNYUXAXLEUKZ-XERRXZQWSA-N
XLogP11.17
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.76
LogP ≤ 511.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(9,9-dimethylxanthen-2-yl)phenyl]-9-phenylcarbazole
CID 177126786
1-[3-[3-(9,9-dimethylxanthen-4-yl)-2-(trideuteriomethyl)phenyl]-2,6-bis(trideuteriomethyl)phenyl]-6,6-dimethylbenzo[b][1,4]benzodioxepine
CID 140937561
5-[3-(9-phenylcarbazol-3-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene]
CID 118880607
5-(9,9-dimethylfluoren-2-yl)-7-[3-(4-phenylphenyl)phenyl]indolo[2,3-b]carbazole
CID 122595609
9-phenyl-3-spiro[fluorene-9,9'-xanthene]-2-ylcarbazole
CID 177298584
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 163801693
5-[3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 66805252
3-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3-methylphenyl)carbazole
CID 145340655
9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-(3-triphenylen-2-ylphenyl)carbazole
CID 118919744
3-(9-phenylcarbazol-3-yl)-9-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)carbazole
CID 146759591
9-phenyl-3-(11-phenyl-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9(14),10,12,15,17,19,22,24-dodecaen-6-yl)carbazole
CID 118700467
2-(9-phenylcarbazol-2-yl)-9-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]carbazole
CID 170277971

Frequently Asked Questions

What is the IUPAC name of 9-[3-[4-methyl-3-[9-methyl-9-(trideuteriomethyl)xanthen-4-yl]-2-(trideuteriomethyl)phenyl]phenyl]carbazole?
The IUPAC name of 9-[3-[4-methyl-3-[9-methyl-9-(trideuteriomethyl)xanthen-4-yl]-2-(trideuteriomethyl)phenyl]phenyl]carbazole (CID 158992744) is 9-[3-[4-methyl-3-[9-methyl-9-(trideuteriomethyl)xanthen-4-yl]-2-(trideuteriomethyl)phenyl]phenyl]carbazole.
What is the SMILES notation for 9-[3-[4-methyl-3-[9-methyl-9-(trideuteriomethyl)xanthen-4-yl]-2-(trideuteriomethyl)phenyl]phenyl]carbazole?
The canonical SMILES for 9-[3-[4-methyl-3-[9-methyl-9-(trideuteriomethyl)xanthen-4-yl]-2-(trideuteriomethyl)phenyl]phenyl]carbazole is [2H]C([2H])([2H])c1c(-c2cccc(-n3c4ccccc4c4ccccc43)c2)ccc(C)c1-c1cccc2c1Oc1ccccc1C2(C)C([2H])([2H])[2H].
What is the InChIKey of 9-[3-[4-methyl-3-[9-methyl-9-(trideuteriomethyl)xanthen-4-yl]-2-(trideuteriomethyl)phenyl]phenyl]carbazole?
The InChIKey is QFQNYUXAXLEUKZ-XERRXZQWSA-N. The full InChI is InChI=1S/C41H33NO/c1-26-23-24-30(27(2)39(26)33-17-12-19-35-40(33)43-38-22-10-7-18-34(38)41(35,3)4)28-13-11-14-29(25-28)42-36-20-8-5-15-31(36)32-16-6-9-21-37(32)42/h5-25H,1-4H3/i2D3,3D3.
What are the key properties of 9-[3-[4-methyl-3-[9-methyl-9-(trideuteriomethyl)xanthen-4-yl]-2-(trideuteriomethyl)phenyl]phenyl]carbazole?
9-[3-[4-methyl-3-[9-methyl-9-(trideuteriomethyl)xanthen-4-yl]-2-(trideuteriomethyl)phenyl]phenyl]carbazole has a molecular weight of 561.76 g/mol, XLogP of 11.17, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[4-methyl-3-[9-methyl-9-(trideuteriomethyl)xanthen-4-yl]-2-(trideuteriomethyl)phenyl]phenyl]carbazole is sourced from PubChem (CID 158992744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).