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

C55H36N2 — CID 176854186

IUPAC1,2,3,4,5,6,8-heptadeuterio-7-[1,2,4,5,6,7,8-heptadeuterio-9-[1,4,5,6,7-pentadeuterio-8-(2,3,4,5,6-pentadeuteriophenyl)-9H-fluoren-2-yl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole
SMILES[2H]c1cc(-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c(-c4c([2H])c([2H])c5c6c([2H])c([2H])c([2H])c([2H])c6n(-c6cccc(-c7ccccc7)c6)c5c4[2H])c([2H])c([2H])c32)c([2H])c2c1-c1c([2H])c([2H])c([2H])c(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c1C2
InChIInChI=1S/C55H36N2/c1-3-13-36(14-4-1)38-17-11-18-42(31-38)57-52-23-9-7-19-47(52)49-28-25-40(35-55(49)57)39-26-30-54-51(33-39)48-20-8-10-24-53(48)56(54)43-27-29-45-41(32-43)34-50-44(21-12-22-46(45)50)37-15-5-2-6-16-37/h1-33,35H,34H2/i2D,5D,6D,7D,8D,9D,10D,12D,15D,16D,19D,20D,21D,22D,23D,24D,25D,26D,28D,29D,30D,32D,33D,35D
InChIKeyGSEIDGMYQSDDQC-YGEDHTPASA-N
MW749.05 g/mol
LogP14.45
Rot. Bonds5

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

1,2,3,4,5,6,8-heptadeuterio-7-[1,2,4,5,6,7,8-heptadeuterio-9-[1,4,5,6,7-pentadeuterio-8-(2,3,4,5,6-pentadeuteriophenyl)-9H-fluoren-2-yl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole (PubChem CID 176854186) has the molecular formula C55H36N2 and a molecular weight of 749.05 g/mol. Its IUPAC name is 1,2,3,4,5,6,8-heptadeuterio-7-[1,2,4,5,6,7,8-heptadeuterio-9-[1,4,5,6,7-pentadeuterio-8-(2,3,4,5,6-pentadeuteriophenyl)-9H-fluoren-2-yl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole.

Molecular Properties

Compound Name1,2,3,4,5,6,8-heptadeuterio-7-[1,2,4,5,6,7,8-heptadeuterio-9-[1,4,5,6,7-pentadeuterio-8-(2,3,4,5,6-pentadeuteriophenyl)-9H-fluoren-2-yl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole
PubChem CID176854186
Molecular FormulaC55H36N2
Molecular Weight749.05 g/mol
Exact Mass748.44
IUPAC Name1,2,3,4,5,6,8-heptadeuterio-7-[1,2,4,5,6,7,8-heptadeuterio-9-[1,4,5,6,7-pentadeuterio-8-(2,3,4,5,6-pentadeuteriophenyl)-9H-fluoren-2-yl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole
SMILES[2H]c1cc(-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c(-c4c([2H])c([2H])c5c6c([2H])c([2H])c([2H])c([2H])c6n(-c6cccc(-c7ccccc7)c6)c5c4[2H])c([2H])c([2H])c32)c([2H])c2c1-c1c([2H])c([2H])c([2H])c(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c1C2
InChIInChI=1S/C55H36N2/c1-3-13-36(14-4-1)38-17-11-18-42(31-38)57-52-23-9-7-19-47(52)49-28-25-40(35-55(49)57)39-26-30-54-51(33-39)48-20-8-10-24-53(48)56(54)43-27-29-45-41(32-43)34-50-44(21-12-22-46(45)50)37-15-5-2-6-16-37/h1-33,35H,34H2/i2D,5D,6D,7D,8D,9D,10D,12D,15D,16D,19D,20D,21D,22D,23D,24D,25D,26D,28D,29D,30D,32D,33D,35D
InChIKeyGSEIDGMYQSDDQC-YGEDHTPASA-N
XLogP14.45
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500749.05
LogP ≤ 514.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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Related Compounds

1,2,3,4,5,6,8-heptadeuterio-7-[1,2,4,5,6,7,8-heptadeuterio-9-[1,4,7,8,9-pentadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-3-yl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 176854252
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
1,2,3,4,6,7,8-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
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
1,2,3,4,5,7,8-heptadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)-6-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 172519979
2-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3,4,5,6,7,8-heptadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 172520020
1,2,3,4,6,8,9,10,11,12-decadeuterio-5-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazin-2-yl]-7-(3-phenylphenyl)indolo[2,3-b]carbazole
CID 172513632
1,2,3,4,5,7,8-heptadeuterio-6-[5-(2,3,4,5,6-pentadeuteriophenyl)-9-phenylcarbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 169011944
1,2,3,4,5,7,8-heptadeuterio-6-(1,2,4,5,6,7,8-heptadeuterio-9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 164788730
9-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-2,3,5,6-tetradeuteriophenyl]-1,2,3,4,5,7,8-heptadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 171420259
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
1,2,3,4,5,6-hexadeuterio-7-[1,2,4,5,6,7-hexadeuterio-9-[2,3,6,7,8-pentadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-4-yl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 176854242

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,8-heptadeuterio-7-[1,2,4,5,6,7,8-heptadeuterio-9-[1,4,5,6,7-pentadeuterio-8-(2,3,4,5,6-pentadeuteriophenyl)-9H-fluoren-2-yl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole?
The IUPAC name of 1,2,3,4,5,6,8-heptadeuterio-7-[1,2,4,5,6,7,8-heptadeuterio-9-[1,4,5,6,7-pentadeuterio-8-(2,3,4,5,6-pentadeuteriophenyl)-9H-fluoren-2-yl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole (CID 176854186) is 1,2,3,4,5,6,8-heptadeuterio-7-[1,2,4,5,6,7,8-heptadeuterio-9-[1,4,5,6,7-pentadeuterio-8-(2,3,4,5,6-pentadeuteriophenyl)-9H-fluoren-2-yl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole.
What is the SMILES notation for 1,2,3,4,5,6,8-heptadeuterio-7-[1,2,4,5,6,7,8-heptadeuterio-9-[1,4,5,6,7-pentadeuterio-8-(2,3,4,5,6-pentadeuteriophenyl)-9H-fluoren-2-yl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole?
The canonical SMILES for 1,2,3,4,5,6,8-heptadeuterio-7-[1,2,4,5,6,7,8-heptadeuterio-9-[1,4,5,6,7-pentadeuterio-8-(2,3,4,5,6-pentadeuteriophenyl)-9H-fluoren-2-yl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole is [2H]c1cc(-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c(-c4c([2H])c([2H])c5c6c([2H])c([2H])c([2H])c([2H])c6n(-c6cccc(-c7ccccc7)c6)c5c4[2H])c([2H])c([2H])c32)c([2H])c2c1-c1c([2H])c([2H])c([2H])c(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c1C2.
What is the InChIKey of 1,2,3,4,5,6,8-heptadeuterio-7-[1,2,4,5,6,7,8-heptadeuterio-9-[1,4,5,6,7-pentadeuterio-8-(2,3,4,5,6-pentadeuteriophenyl)-9H-fluoren-2-yl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole?
The InChIKey is GSEIDGMYQSDDQC-YGEDHTPASA-N. The full InChI is InChI=1S/C55H36N2/c1-3-13-36(14-4-1)38-17-11-18-42(31-38)57-52-23-9-7-19-47(52)49-28-25-40(35-55(49)57)39-26-30-54-51(33-39)48-20-8-10-24-53(48)56(54)43-27-29-45-41(32-43)34-50-44(21-12-22-46(45)50)37-15-5-2-6-16-37/h1-33,35H,34H2/i2D,5D,6D,7D,8D,9D,10D,12D,15D,16D,19D,20D,21D,22D,23D,24D,25D,26D,28D,29D,30D,32D,33D,35D.
What are the key properties of 1,2,3,4,5,6,8-heptadeuterio-7-[1,2,4,5,6,7,8-heptadeuterio-9-[1,4,5,6,7-pentadeuterio-8-(2,3,4,5,6-pentadeuteriophenyl)-9H-fluoren-2-yl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole?
1,2,3,4,5,6,8-heptadeuterio-7-[1,2,4,5,6,7,8-heptadeuterio-9-[1,4,5,6,7-pentadeuterio-8-(2,3,4,5,6-pentadeuteriophenyl)-9H-fluoren-2-yl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole has a molecular weight of 749.05 g/mol, XLogP of 14.45, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,8-heptadeuterio-7-[1,2,4,5,6,7,8-heptadeuterio-9-[1,4,5,6,7-pentadeuterio-8-(2,3,4,5,6-pentadeuteriophenyl)-9H-fluoren-2-yl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole is sourced from PubChem (CID 176854186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).