1,2,3,4,6,7,8,9,10,11-decadeuterio-5-phenyl-12-(3-phenylphenyl)indolo[3,2-c]carbazole

C36H24N2 — CID 172515231

IUPAC1,2,3,4,6,7,8,9,10,11-decadeuterio-5-phenyl-12-(3-phenylphenyl)indolo[3,2-c]carbazole
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])c1c(c([2H])c([2H])c3c4c([2H])c([2H])c([2H])c([2H])c4n(-c4cccc(-c5ccccc5)c4)c31)n2-c1ccccc1
InChIInChI=1S/C36H24N2/c1-3-12-25(13-4-1)26-14-11-17-28(24-26)38-32-20-9-7-18-29(32)30-22-23-34-35(36(30)38)31-19-8-10-21-33(31)37(34)27-15-5-2-6-16-27/h1-24H/i7D,8D,9D,10D,18D,19D,20D,21D,22D,23D
InChIKeyVUDQRPSEIZXMNM-QUFKREKASA-N
MW494.66 g/mol
LogP9.55
Rot. Bonds3

About 1,2,3,4,6,7,8,9,10,11-decadeuterio-5-phenyl-12-(3-phenylphenyl)indolo[3,2-c]carbazole

1,2,3,4,6,7,8,9,10,11-decadeuterio-5-phenyl-12-(3-phenylphenyl)indolo[3,2-c]carbazole (PubChem CID 172515231) has the molecular formula C36H24N2 and a molecular weight of 494.66 g/mol. Its IUPAC name is 1,2,3,4,6,7,8,9,10,11-decadeuterio-5-phenyl-12-(3-phenylphenyl)indolo[3,2-c]carbazole.

Molecular Properties

Compound Name1,2,3,4,6,7,8,9,10,11-decadeuterio-5-phenyl-12-(3-phenylphenyl)indolo[3,2-c]carbazole
PubChem CID172515231
Molecular FormulaC36H24N2
Molecular Weight494.66 g/mol
Exact Mass494.26
IUPAC Name1,2,3,4,6,7,8,9,10,11-decadeuterio-5-phenyl-12-(3-phenylphenyl)indolo[3,2-c]carbazole
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])c1c(c([2H])c([2H])c3c4c([2H])c([2H])c([2H])c([2H])c4n(-c4cccc(-c5ccccc5)c4)c31)n2-c1ccccc1
InChIInChI=1S/C36H24N2/c1-3-12-25(13-4-1)26-14-11-17-28(24-26)38-32-20-9-7-18-29(32)30-22-23-34-35(36(30)38)31-19-8-10-21-33(31)37(34)27-15-5-2-6-16-27/h1-24H/i7D,8D,9D,10D,18D,19D,20D,21D,22D,23D
InChIKeyVUDQRPSEIZXMNM-QUFKREKASA-N
XLogP9.55
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.66
LogP ≤ 59.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
[3-[1,2,3,4,6,7,8,9,10,11-decadeuterio-12-(2,3,4,5,6-pentadeuteriophenyl)indolo[3,2-c]carbazol-5-yl]phenyl]-triphenylsilane
CID 172534654
1,2,3,4,6,7-hexadeuterio-12-phenyl-5-(3-tritylphenyl)indolo[3,2-c]carbazole
CID 172515172
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
1,2,3,4,5,6,7,8-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
1,2,3,4,6,7,8-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
7-phenyl-18-(5,6,7,8-tetradeuterio-9-phenylcarbazol-2-yl)-7,18-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene
CID 170651797
1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,3,5,6,7,8-heptadeuterio-9-[1,2,5,6,7,8-hexadeuterio-9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]carbazol-4-yl]carbazole
CID 170659782
1,2,3,4,5,6,7,8-octadeuterio-9-[9-[3-(4-deuteriophenyl)phenyl]carbazol-1-yl]carbazole
CID 170517476
1,2,3,4,5,6,7,8-octadeuterio-9-[9-[3-(4-deuteriophenyl)phenyl]carbazol-4-yl]carbazole
CID 170517472
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

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,6,7,8,9,10,11-decadeuterio-5-phenyl-12-(3-phenylphenyl)indolo[3,2-c]carbazole?
The IUPAC name of 1,2,3,4,6,7,8,9,10,11-decadeuterio-5-phenyl-12-(3-phenylphenyl)indolo[3,2-c]carbazole (CID 172515231) is 1,2,3,4,6,7,8,9,10,11-decadeuterio-5-phenyl-12-(3-phenylphenyl)indolo[3,2-c]carbazole.
What is the SMILES notation for 1,2,3,4,6,7,8,9,10,11-decadeuterio-5-phenyl-12-(3-phenylphenyl)indolo[3,2-c]carbazole?
The canonical SMILES for 1,2,3,4,6,7,8,9,10,11-decadeuterio-5-phenyl-12-(3-phenylphenyl)indolo[3,2-c]carbazole is [2H]c1c([2H])c([2H])c2c(c1[2H])c1c(c([2H])c([2H])c3c4c([2H])c([2H])c([2H])c([2H])c4n(-c4cccc(-c5ccccc5)c4)c31)n2-c1ccccc1.
What is the InChIKey of 1,2,3,4,6,7,8,9,10,11-decadeuterio-5-phenyl-12-(3-phenylphenyl)indolo[3,2-c]carbazole?
The InChIKey is VUDQRPSEIZXMNM-QUFKREKASA-N. The full InChI is InChI=1S/C36H24N2/c1-3-12-25(13-4-1)26-14-11-17-28(24-26)38-32-20-9-7-18-29(32)30-22-23-34-35(36(30)38)31-19-8-10-21-33(31)37(34)27-15-5-2-6-16-27/h1-24H/i7D,8D,9D,10D,18D,19D,20D,21D,22D,23D.
What are the key properties of 1,2,3,4,6,7,8,9,10,11-decadeuterio-5-phenyl-12-(3-phenylphenyl)indolo[3,2-c]carbazole?
1,2,3,4,6,7,8,9,10,11-decadeuterio-5-phenyl-12-(3-phenylphenyl)indolo[3,2-c]carbazole has a molecular weight of 494.66 g/mol, XLogP of 9.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,6,7,8,9,10,11-decadeuterio-5-phenyl-12-(3-phenylphenyl)indolo[3,2-c]carbazole is sourced from PubChem (CID 172515231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).