1,2,3,4,6,7,8-heptadeuterio-9-[1,2,4,6,7,8-hexadeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)-9-(3-phenylphenyl)carbazol-3-yl]-5-(2,3,4,5,6-pentadeuteriophenyl)carbazole

C48H32N2 — CID 171458617

IUPAC1,2,3,4,6,7,8-heptadeuterio-9-[1,2,4,6,7,8-hexadeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)-9-(3-phenylphenyl)carbazol-3-yl]-5-(2,3,4,5,6-pentadeuteriophenyl)carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c([2H])c3c2c2c([2H])c(-n4c5c([2H])c([2H])c([2H])c([2H])c5c5c(-c6c([2H])c([2H])c([2H])c([2H])c6[2H])c([2H])c([2H])c([2H])c54)c([2H])c([2H])c2n3-c2cccc(-c3ccccc3)c2)c([2H])c1[2H]
InChIInChI=1S/C48H32N2/c1-4-15-33(16-5-1)36-21-12-22-37(31-36)49-44-30-29-38(32-42(44)48-40(25-14-28-46(48)49)35-19-8-3-9-20-35)50-43-26-11-10-23-41(43)47-39(24-13-27-45(47)50)34-17-6-2-7-18-34/h1-32H/i2D,3D,6D,7D,8D,9D,10D,11D,13D,14D,17D,18D,19D,20D,23D,24D,25D,26D,27D,28D,29D,30D,32D
InChIKeyTXGYZAGUEDKJAH-LABAXHQWSA-N
MW659.94 g/mol
LogP12.88
Rot. Bonds5

About 1,2,3,4,6,7,8-heptadeuterio-9-[1,2,4,6,7,8-hexadeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)-9-(3-phenylphenyl)carbazol-3-yl]-5-(2,3,4,5,6-pentadeuteriophenyl)carbazole

1,2,3,4,6,7,8-heptadeuterio-9-[1,2,4,6,7,8-hexadeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)-9-(3-phenylphenyl)carbazol-3-yl]-5-(2,3,4,5,6-pentadeuteriophenyl)carbazole (PubChem CID 171458617) has the molecular formula C48H32N2 and a molecular weight of 659.94 g/mol. Its IUPAC name is 1,2,3,4,6,7,8-heptadeuterio-9-[1,2,4,6,7,8-hexadeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)-9-(3-phenylphenyl)carbazol-3-yl]-5-(2,3,4,5,6-pentadeuteriophenyl)carbazole.

Molecular Properties

Compound Name1,2,3,4,6,7,8-heptadeuterio-9-[1,2,4,6,7,8-hexadeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)-9-(3-phenylphenyl)carbazol-3-yl]-5-(2,3,4,5,6-pentadeuteriophenyl)carbazole
PubChem CID171458617
Molecular FormulaC48H32N2
Molecular Weight659.94 g/mol
Exact Mass659.40
IUPAC Name1,2,3,4,6,7,8-heptadeuterio-9-[1,2,4,6,7,8-hexadeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)-9-(3-phenylphenyl)carbazol-3-yl]-5-(2,3,4,5,6-pentadeuteriophenyl)carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c([2H])c3c2c2c([2H])c(-n4c5c([2H])c([2H])c([2H])c([2H])c5c5c(-c6c([2H])c([2H])c([2H])c([2H])c6[2H])c([2H])c([2H])c([2H])c54)c([2H])c([2H])c2n3-c2cccc(-c3ccccc3)c2)c([2H])c1[2H]
InChIInChI=1S/C48H32N2/c1-4-15-33(16-5-1)36-21-12-22-37(31-36)49-44-30-29-38(32-42(44)48-40(25-14-28-46(48)49)35-19-8-3-9-20-35)50-43-26-11-10-23-41(43)47-39(24-13-27-45(47)50)34-17-6-2-7-18-34/h1-32H/i2D,3D,6D,7D,8D,9D,10D,11D,13D,14D,17D,18D,19D,20D,23D,24D,25D,26D,27D,28D,29D,30D,32D
InChIKeyTXGYZAGUEDKJAH-LABAXHQWSA-N
XLogP12.88
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.94
LogP ≤ 512.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,2,3,4,6,7,8-heptadeuterio-9-[1,2,4,6,7,8-hexadeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)-9-(3-phenylphenyl)carbazol-3-yl]-5-(2,3,4,5,6-pentadeuteriophenyl)carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
[1,2,4,5,6,7,8-heptadeuterio-9-[1,2,4,6,7,8-hexadeuterio-9-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-5-phenylcarbazol-3-yl]carbazol-3-yl]-triphenylsilane
CID 171457899
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-[1,2,3,5,7,8-hexadeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[4-(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane
CID 171458385
1,2,3,5,7,8-hexadeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-9-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 169011858
1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-[3-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazol-3-yl]carbazole
CID 170518251
4,5,6,7,11,12,16,17,18,19-decadeuterio-9-(4-phenylphenyl)-14-[3-(3-phenylphenyl)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 176851608
1,2,3,4,5,6,7,8-octadeuterio-9-[1,3,4,5,6,7,8-heptadeuterio-9-[1,2,3,5,6,7,8-heptadeuterio-9-[3-(3-phenylphenyl)phenyl]carbazol-4-yl]carbazol-2-yl]carbazole
CID 170518270
1,2,3,4,5,7,8-heptadeuterio-6-[1,2,3,4,6,7,8-heptadeuterio-5-(2-phenylphenyl)carbazol-9-yl]-9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazole
CID 171458654
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
1,2,3,4,5,7,8-heptadeuterio-6-[1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-(2-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-9-(3-phenylphenyl)carbazole
CID 177280548
1,2,3,4,5,6,7,8-octadeuterio-9-[1,3,4,5,6,7,8-heptadeuterio-9-[1,2,3,5,6,7,8-heptadeuterio-9-[3-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazol-4-yl]carbazol-2-yl]carbazole
CID 170659968

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,6,7,8-heptadeuterio-9-[1,2,4,6,7,8-hexadeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)-9-(3-phenylphenyl)carbazol-3-yl]-5-(2,3,4,5,6-pentadeuteriophenyl)carbazole?
The IUPAC name of 1,2,3,4,6,7,8-heptadeuterio-9-[1,2,4,6,7,8-hexadeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)-9-(3-phenylphenyl)carbazol-3-yl]-5-(2,3,4,5,6-pentadeuteriophenyl)carbazole (CID 171458617) is 1,2,3,4,6,7,8-heptadeuterio-9-[1,2,4,6,7,8-hexadeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)-9-(3-phenylphenyl)carbazol-3-yl]-5-(2,3,4,5,6-pentadeuteriophenyl)carbazole.
What is the SMILES notation for 1,2,3,4,6,7,8-heptadeuterio-9-[1,2,4,6,7,8-hexadeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)-9-(3-phenylphenyl)carbazol-3-yl]-5-(2,3,4,5,6-pentadeuteriophenyl)carbazole?
The canonical SMILES for 1,2,3,4,6,7,8-heptadeuterio-9-[1,2,4,6,7,8-hexadeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)-9-(3-phenylphenyl)carbazol-3-yl]-5-(2,3,4,5,6-pentadeuteriophenyl)carbazole is [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c([2H])c3c2c2c([2H])c(-n4c5c([2H])c([2H])c([2H])c([2H])c5c5c(-c6c([2H])c([2H])c([2H])c([2H])c6[2H])c([2H])c([2H])c([2H])c54)c([2H])c([2H])c2n3-c2cccc(-c3ccccc3)c2)c([2H])c1[2H].
What is the InChIKey of 1,2,3,4,6,7,8-heptadeuterio-9-[1,2,4,6,7,8-hexadeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)-9-(3-phenylphenyl)carbazol-3-yl]-5-(2,3,4,5,6-pentadeuteriophenyl)carbazole?
The InChIKey is TXGYZAGUEDKJAH-LABAXHQWSA-N. The full InChI is InChI=1S/C48H32N2/c1-4-15-33(16-5-1)36-21-12-22-37(31-36)49-44-30-29-38(32-42(44)48-40(25-14-28-46(48)49)35-19-8-3-9-20-35)50-43-26-11-10-23-41(43)47-39(24-13-27-45(47)50)34-17-6-2-7-18-34/h1-32H/i2D,3D,6D,7D,8D,9D,10D,11D,13D,14D,17D,18D,19D,20D,23D,24D,25D,26D,27D,28D,29D,30D,32D.
What are the key properties of 1,2,3,4,6,7,8-heptadeuterio-9-[1,2,4,6,7,8-hexadeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)-9-(3-phenylphenyl)carbazol-3-yl]-5-(2,3,4,5,6-pentadeuteriophenyl)carbazole?
1,2,3,4,6,7,8-heptadeuterio-9-[1,2,4,6,7,8-hexadeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)-9-(3-phenylphenyl)carbazol-3-yl]-5-(2,3,4,5,6-pentadeuteriophenyl)carbazole has a molecular weight of 659.94 g/mol, XLogP of 12.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,6,7,8-heptadeuterio-9-[1,2,4,6,7,8-hexadeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)-9-(3-phenylphenyl)carbazol-3-yl]-5-(2,3,4,5,6-pentadeuteriophenyl)carbazole is sourced from PubChem (CID 171458617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).