1,2,3,4,5,7,8-heptadeuterio-6-[1,2,3,5,6,7,8-heptadeuterio-4-(1,2,3,5,6,7,8-heptadeuterio-9-phenylcarbazol-4-yl)-3,4-dihydrocarbazol-9-yl]-9-phenylcarbazole

C48H33N3 — CID 177280451

IUPAC1,2,3,4,5,7,8-heptadeuterio-6-[1,2,3,5,6,7,8-heptadeuterio-4-(1,2,3,5,6,7,8-heptadeuterio-9-phenylcarbazol-4-yl)-3,4-dihydrocarbazol-9-yl]-9-phenylcarbazole
SMILES[2H]C1=C([2H])C([2H])C(c2c([2H])c([2H])c([2H])c3c2c2c([2H])c([2H])c([2H])c([2H])c2n3-c2ccccc2)c2c1n(-c1c([2H])c([2H])c3c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n3-c1ccccc1)c1c([2H])c([2H])c([2H])c([2H])c21
InChIInChI=1S/C48H33N3/c1-3-15-32(16-4-1)49-41-24-10-7-19-35(41)40-31-34(29-30-44(40)49)51-43-26-12-9-21-39(43)48-37(23-14-28-46(48)51)36-22-13-27-45-47(36)38-20-8-11-25-42(38)50(45)33-17-5-2-6-18-33/h1-22,24-31,37H,23H2/i7D,8D,9D,10D,11D,12D,13D,14D,19D,20D,21D,22D,23D,24D,25D,26D,27D,28D,29D,30D,31D
InChIKeyZWSUOFJDKLFIJZ-MLXXBLMMSA-N
MW672.94 g/mol
LogP12.37
Rot. Bonds4

About 1,2,3,4,5,7,8-heptadeuterio-6-[1,2,3,5,6,7,8-heptadeuterio-4-(1,2,3,5,6,7,8-heptadeuterio-9-phenylcarbazol-4-yl)-3,4-dihydrocarbazol-9-yl]-9-phenylcarbazole

1,2,3,4,5,7,8-heptadeuterio-6-[1,2,3,5,6,7,8-heptadeuterio-4-(1,2,3,5,6,7,8-heptadeuterio-9-phenylcarbazol-4-yl)-3,4-dihydrocarbazol-9-yl]-9-phenylcarbazole (PubChem CID 177280451) has the molecular formula C48H33N3 and a molecular weight of 672.94 g/mol. Its IUPAC name is 1,2,3,4,5,7,8-heptadeuterio-6-[1,2,3,5,6,7,8-heptadeuterio-4-(1,2,3,5,6,7,8-heptadeuterio-9-phenylcarbazol-4-yl)-3,4-dihydrocarbazol-9-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name1,2,3,4,5,7,8-heptadeuterio-6-[1,2,3,5,6,7,8-heptadeuterio-4-(1,2,3,5,6,7,8-heptadeuterio-9-phenylcarbazol-4-yl)-3,4-dihydrocarbazol-9-yl]-9-phenylcarbazole
PubChem CID177280451
Molecular FormulaC48H33N3
Molecular Weight672.94 g/mol
Exact Mass672.40
IUPAC Name1,2,3,4,5,7,8-heptadeuterio-6-[1,2,3,5,6,7,8-heptadeuterio-4-(1,2,3,5,6,7,8-heptadeuterio-9-phenylcarbazol-4-yl)-3,4-dihydrocarbazol-9-yl]-9-phenylcarbazole
SMILES[2H]C1=C([2H])C([2H])C(c2c([2H])c([2H])c([2H])c3c2c2c([2H])c([2H])c([2H])c([2H])c2n3-c2ccccc2)c2c1n(-c1c([2H])c([2H])c3c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n3-c1ccccc1)c1c([2H])c([2H])c([2H])c([2H])c21
InChIInChI=1S/C48H33N3/c1-3-15-32(16-4-1)49-41-24-10-7-19-35(41)40-31-34(29-30-44(40)49)51-43-26-12-9-21-39(43)48-37(23-14-28-46(48)51)36-22-13-27-45-47(36)38-20-8-11-25-42(38)50(45)33-17-5-2-6-18-33/h1-22,24-31,37H,23H2/i7D,8D,9D,10D,11D,12D,13D,14D,19D,20D,21D,22D,23D,24D,25D,26D,27D,28D,29D,30D,31D
InChIKeyZWSUOFJDKLFIJZ-MLXXBLMMSA-N
XLogP12.37
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.94
LogP ≤ 512.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,2,3,4,5,7,8-heptadeuterio-6-[1,2,3,5,6,7,8-heptadeuterio-4-(1,2,3,5,6,7,8-heptadeuterio-9-phenylcarbazol-4-yl)-3,4-dihydrocarbazol-9-yl]-9-phenylcarbazole with MolForge

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Related Compounds

1,2,3,4,5,7,8-heptadeuterio-6-methyl-9-phenylcarbazole
CID 171461467
1,2,3,4,5,7,8-heptadeuterio-9-(1,2,3,5,6,7,8-heptadeuterio-9-phenylcarbazol-4-yl)-6-(2,4,5,6,7,8-hexadeuterio-9-phenylcarbazol-3-yl)carbazole
CID 177269973
1,2,3,4,5,6,8-heptadeuterio-7-[1,2,4,5,6,7-hexadeuterio-9-(1,2,4,5,6,7,8-heptadeuterio-9-phenylcarbazol-3-yl)carbazol-3-yl]-9-phenylcarbazole
CID 177280510
1,2,3,4,5,6,8-heptadeuterio-7-[1,2,3,4,5,7,8-heptadeuterio-6-(1,2,4,6,7,8-hexadeuterio-5,9-diphenylcarbazol-3-yl)carbazol-9-yl]-9-phenylcarbazole
CID 167377834
4,5,6,7,11,12,16,17,18,19-decadeuterio-9-(4-phenylphenyl)-14-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 171414543
[4-[3-(4-cyclohexylcarbazol-9-yl)-1,2,4,5,6,7,8-heptadeuteriocarbazol-9-yl]phenyl]-triphenylsilane
CID 176779669
1,2,3,4,5,7,8-heptadeuterio-9-[1,2,3,5,6,7,8-heptadeuterio-9-(4-phenylphenyl)carbazol-4-yl]-6-(2,4,5,6,7,8-hexadeuterio-9-phenylcarbazol-3-yl)carbazole
CID 177269997
4,5,6,7,11,12,16,17,18,19-decadeuterio-9-[1,2,4,5,7,8-hexadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]-14-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 167577345
3-carbazol-9-yl-1,2,4,5,6,7,8-heptadeuterio-9-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole
CID 170517466
1,2,3,4,5,6,8-heptadeuterio-9-(4-deuteriophenyl)-7-[1,2,3,4,5,7,8-heptadeuterio-6-(1,2,4,5,6,7,8-heptadeuterio-9-phenylcarbazol-3-yl)carbazol-9-yl]carbazole
CID 167377854
1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-(4-deuteriophenyl)carbazol-3-yl]-9-phenylcarbazole
CID 172511986
1,2,3,4,5,6,8-heptadeuterio-7-[1,2,3,4,5,7,8-heptadeuterio-6-[1,2,3,5,6,7,8-heptadeuterio-9-(3-phenylphenyl)carbazol-4-yl]carbazol-9-yl]-9-phenylcarbazole
CID 177280490

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,7,8-heptadeuterio-6-[1,2,3,5,6,7,8-heptadeuterio-4-(1,2,3,5,6,7,8-heptadeuterio-9-phenylcarbazol-4-yl)-3,4-dihydrocarbazol-9-yl]-9-phenylcarbazole?
The IUPAC name of 1,2,3,4,5,7,8-heptadeuterio-6-[1,2,3,5,6,7,8-heptadeuterio-4-(1,2,3,5,6,7,8-heptadeuterio-9-phenylcarbazol-4-yl)-3,4-dihydrocarbazol-9-yl]-9-phenylcarbazole (CID 177280451) is 1,2,3,4,5,7,8-heptadeuterio-6-[1,2,3,5,6,7,8-heptadeuterio-4-(1,2,3,5,6,7,8-heptadeuterio-9-phenylcarbazol-4-yl)-3,4-dihydrocarbazol-9-yl]-9-phenylcarbazole.
What is the SMILES notation for 1,2,3,4,5,7,8-heptadeuterio-6-[1,2,3,5,6,7,8-heptadeuterio-4-(1,2,3,5,6,7,8-heptadeuterio-9-phenylcarbazol-4-yl)-3,4-dihydrocarbazol-9-yl]-9-phenylcarbazole?
The canonical SMILES for 1,2,3,4,5,7,8-heptadeuterio-6-[1,2,3,5,6,7,8-heptadeuterio-4-(1,2,3,5,6,7,8-heptadeuterio-9-phenylcarbazol-4-yl)-3,4-dihydrocarbazol-9-yl]-9-phenylcarbazole is [2H]C1=C([2H])C([2H])C(c2c([2H])c([2H])c([2H])c3c2c2c([2H])c([2H])c([2H])c([2H])c2n3-c2ccccc2)c2c1n(-c1c([2H])c([2H])c3c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n3-c1ccccc1)c1c([2H])c([2H])c([2H])c([2H])c21.
What is the InChIKey of 1,2,3,4,5,7,8-heptadeuterio-6-[1,2,3,5,6,7,8-heptadeuterio-4-(1,2,3,5,6,7,8-heptadeuterio-9-phenylcarbazol-4-yl)-3,4-dihydrocarbazol-9-yl]-9-phenylcarbazole?
The InChIKey is ZWSUOFJDKLFIJZ-MLXXBLMMSA-N. The full InChI is InChI=1S/C48H33N3/c1-3-15-32(16-4-1)49-41-24-10-7-19-35(41)40-31-34(29-30-44(40)49)51-43-26-12-9-21-39(43)48-37(23-14-28-46(48)51)36-22-13-27-45-47(36)38-20-8-11-25-42(38)50(45)33-17-5-2-6-18-33/h1-22,24-31,37H,23H2/i7D,8D,9D,10D,11D,12D,13D,14D,19D,20D,21D,22D,23D,24D,25D,26D,27D,28D,29D,30D,31D.
What are the key properties of 1,2,3,4,5,7,8-heptadeuterio-6-[1,2,3,5,6,7,8-heptadeuterio-4-(1,2,3,5,6,7,8-heptadeuterio-9-phenylcarbazol-4-yl)-3,4-dihydrocarbazol-9-yl]-9-phenylcarbazole?
1,2,3,4,5,7,8-heptadeuterio-6-[1,2,3,5,6,7,8-heptadeuterio-4-(1,2,3,5,6,7,8-heptadeuterio-9-phenylcarbazol-4-yl)-3,4-dihydrocarbazol-9-yl]-9-phenylcarbazole has a molecular weight of 672.94 g/mol, XLogP of 12.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,7,8-heptadeuterio-6-[1,2,3,5,6,7,8-heptadeuterio-4-(1,2,3,5,6,7,8-heptadeuterio-9-phenylcarbazol-4-yl)-3,4-dihydrocarbazol-9-yl]-9-phenylcarbazole is sourced from PubChem (CID 177280451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).