12-(2-phenylphenyl)-5-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]indolo[3,2-c]carbazole

C48H32N2 — CID 172515275

IUPAC12-(2-phenylphenyl)-5-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]indolo[3,2-c]carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2c([2H])c(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c([2H])c(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5-c5ccccc5)c34)c2[2H])c([2H])c1[2H]
InChIInChI=1S/C48H32N2/c1-4-16-33(17-5-1)36-30-37(34-18-6-2-7-19-34)32-38(31-36)49-45-27-15-12-24-42(45)47-46(49)29-28-41-40-23-11-14-26-44(40)50(48(41)47)43-25-13-10-22-39(43)35-20-8-3-9-21-35/h1-32H/i1D,2D,4D,5D,6D,7D,16D,17D,18D,19D,30D,31D,32D
InChIKeyGPNLFYLXMOOYEO-ZMTSXASMSA-N
MW649.88 g/mol
LogP12.88
Rot. Bonds5

About 12-(2-phenylphenyl)-5-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]indolo[3,2-c]carbazole

12-(2-phenylphenyl)-5-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]indolo[3,2-c]carbazole (PubChem CID 172515275) has the molecular formula C48H32N2 and a molecular weight of 649.88 g/mol. Its IUPAC name is 12-(2-phenylphenyl)-5-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]indolo[3,2-c]carbazole.

Molecular Properties

Compound Name12-(2-phenylphenyl)-5-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]indolo[3,2-c]carbazole
PubChem CID172515275
Molecular FormulaC48H32N2
Molecular Weight649.88 g/mol
Exact Mass649.34
IUPAC Name12-(2-phenylphenyl)-5-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]indolo[3,2-c]carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2c([2H])c(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c([2H])c(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5-c5ccccc5)c34)c2[2H])c([2H])c1[2H]
InChIInChI=1S/C48H32N2/c1-4-16-33(17-5-1)36-30-37(34-18-6-2-7-19-34)32-38(31-36)49-45-27-15-12-24-42(45)47-46(49)29-28-41-40-23-11-14-26-44(40)50(48(41)47)43-25-13-10-22-39(43)35-20-8-3-9-21-35/h1-32H/i1D,2D,4D,5D,6D,7D,16D,17D,18D,19D,30D,31D,32D
InChIKeyGPNLFYLXMOOYEO-ZMTSXASMSA-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 ≤ 500649.88
LogP ≤ 512.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[2-[1,3,4,5,6,7,8-heptadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-2-yl]phenyl]-12-(2-phenylphenyl)indolo[3,2-c]carbazole
CID 176831270
5-[2-[1,2,3,5,6,7,8-heptadeuterio-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-4-yl]phenyl]-12-(2-phenylphenyl)indolo[3,2-c]carbazole
CID 176831265
5-[2-[2,3,4,5,6,7,8-heptadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-1-yl]phenyl]-12-(2-phenylphenyl)indolo[3,2-c]carbazole
CID 176831481
1-(3-carbazol-9-ylcarbazol-9-yl)-9-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole
CID 170518114
5-phenyl-12-[2-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]indolo[3,2-c]carbazole
CID 154590271
12-(2-phenylphenyl)-5-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-c]carbazole
CID 176831298
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[2-(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;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[3-(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;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[4-(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;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]indolo[3,2-c]carbazole
CID 167586338
2-[4-(2-phenylphenyl)carbazol-9-yl]-9-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole
CID 171458093
12-(2-phenylphenyl)-5-[2-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]indolo[3,2-c]carbazole
CID 176831302
9-deuterio-5-(2,5-diphenylphenyl)-12-phenylindolo[3,2-c]carbazole
CID 171414486
12-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole
CID 162424954
12-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-(2-phenylphenyl)indolo[2,3-a]carbazole
CID 162424962

Frequently Asked Questions

What is the IUPAC name of 12-(2-phenylphenyl)-5-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]indolo[3,2-c]carbazole?
The IUPAC name of 12-(2-phenylphenyl)-5-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]indolo[3,2-c]carbazole (CID 172515275) is 12-(2-phenylphenyl)-5-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]indolo[3,2-c]carbazole.
What is the SMILES notation for 12-(2-phenylphenyl)-5-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]indolo[3,2-c]carbazole?
The canonical SMILES for 12-(2-phenylphenyl)-5-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]indolo[3,2-c]carbazole is [2H]c1c([2H])c([2H])c(-c2c([2H])c(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c([2H])c(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5-c5ccccc5)c34)c2[2H])c([2H])c1[2H].
What is the InChIKey of 12-(2-phenylphenyl)-5-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]indolo[3,2-c]carbazole?
The InChIKey is GPNLFYLXMOOYEO-ZMTSXASMSA-N. The full InChI is InChI=1S/C48H32N2/c1-4-16-33(17-5-1)36-30-37(34-18-6-2-7-19-34)32-38(31-36)49-45-27-15-12-24-42(45)47-46(49)29-28-41-40-23-11-14-26-44(40)50(48(41)47)43-25-13-10-22-39(43)35-20-8-3-9-21-35/h1-32H/i1D,2D,4D,5D,6D,7D,16D,17D,18D,19D,30D,31D,32D.
What are the key properties of 12-(2-phenylphenyl)-5-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]indolo[3,2-c]carbazole?
12-(2-phenylphenyl)-5-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]indolo[3,2-c]carbazole has a molecular weight of 649.88 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 12-(2-phenylphenyl)-5-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]indolo[3,2-c]carbazole is sourced from PubChem (CID 172515275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).