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

C54H35N3 — CID 177280490

IUPAC1,2,3,4,5,6,8-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
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c(-c5c([2H])c([2H])c([2H])c6c5c5c([2H])c([2H])c([2H])c([2H])c5n6-c5cccc(-c6ccccc6)c5)c([2H])c([2H])c43)c([2H])c1n2-c1ccccc1
InChIInChI=1S/C54H35N3/c1-3-15-36(16-4-1)37-17-13-20-40(33-37)57-50-27-12-9-23-46(50)54-42(24-14-28-52(54)57)38-29-32-51-47(34-38)44-22-8-11-26-49(44)56(51)41-30-31-45-43-21-7-10-25-48(43)55(53(45)35-41)39-18-5-2-6-19-39/h1-35H/i7D,8D,9D,10D,11D,12D,14D,21D,22D,23D,24D,25D,26D,27D,28D,29D,30D,31D,32D,34D,35D
InChIKeyUISPPPHDRKZRLP-UNXOAHHXSA-N
MW747.02 g/mol
LogP14.31
Rot. Bonds5

About 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

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 (PubChem CID 177280490) has the molecular formula C54H35N3 and a molecular weight of 747.02 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1,2,3,4,5,6,8-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
PubChem CID177280490
Molecular FormulaC54H35N3
Molecular Weight747.02 g/mol
Exact Mass746.41
IUPAC Name1,2,3,4,5,6,8-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
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c(-c5c([2H])c([2H])c([2H])c6c5c5c([2H])c([2H])c([2H])c([2H])c5n6-c5cccc(-c6ccccc6)c5)c([2H])c([2H])c43)c([2H])c1n2-c1ccccc1
InChIInChI=1S/C54H35N3/c1-3-15-36(16-4-1)37-17-13-20-40(33-37)57-50-27-12-9-23-46(50)54-42(24-14-28-52(54)57)38-29-32-51-47(34-38)44-22-8-11-26-49(44)56(51)41-30-31-45-43-21-7-10-25-48(43)55(53(45)35-41)39-18-5-2-6-19-39/h1-35H/i7D,8D,9D,10D,11D,12D,14D,21D,22D,23D,24D,25D,26D,27D,28D,29D,30D,31D,32D,34D,35D
InChIKeyUISPPPHDRKZRLP-UNXOAHHXSA-N
XLogP14.31
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500747.02
LogP ≤ 514.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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 with MolForge

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Related Compounds

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
1,2,3,4,6,7,8-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
1,2,3,4,5,6,7,8-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
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
1,2,3,4,5,7,8-heptadeuterio-6-(1,2,3,5,6,7,8-heptadeuterio-9-phenylcarbazol-4-yl)-9-(1,2,3,6,7,8-hexadeuterio-9-phenylcarbazol-4-yl)carbazole
CID 177280538
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
1,2,3,4,5,6,7-heptadeuterio-8-[1,2,4,5,6,7,8-heptadeuterio-9-(1,3,4,5,6,7,8-heptadeuterio-9-phenylcarbazol-2-yl)carbazol-3-yl]-9-(2-phenylphenyl)carbazole
CID 177280501
1,2,3,4,6,7,8,9,10,11-decadeuterio-5-phenyl-12-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 172515231
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
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
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-[1,2,4,5,6,7,8-heptadeuterio-9-[1,3,4,5,6,7,8-heptadeuterio-9-(3,5-diphenylphenyl)carbazol-2-yl]carbazol-3-yl]carbazole
CID 170518263

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c(-c5c([2H])c([2H])c([2H])c6c5c5c([2H])c([2H])c([2H])c([2H])c5n6-c5cccc(-c6ccccc6)c5)c([2H])c([2H])c43)c([2H])c1n2-c1ccccc1.
What is the InChIKey of 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?
The InChIKey is UISPPPHDRKZRLP-UNXOAHHXSA-N. The full InChI is InChI=1S/C54H35N3/c1-3-15-36(16-4-1)37-17-13-20-40(33-37)57-50-27-12-9-23-46(50)54-42(24-14-28-52(54)57)38-29-32-51-47(34-38)44-22-8-11-26-49(44)56(51)41-30-31-45-43-21-7-10-25-48(43)55(53(45)35-41)39-18-5-2-6-19-39/h1-35H/i7D,8D,9D,10D,11D,12D,14D,21D,22D,23D,24D,25D,26D,27D,28D,29D,30D,31D,32D,34D,35D.
What are the key properties of 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?
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 has a molecular weight of 747.02 g/mol, XLogP of 14.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,8-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 is sourced from PubChem (CID 177280490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).