1,3-bis(1-phenylindol-5-yl)-9H-carbazole;ethane;molecular hydrogen

C42H35N3 — CID 144941684

IUPAC1,3-bis(1-phenylindol-5-yl)-9H-carbazole;ethane;molecular hydrogen
SMILESCC.[H][H].c1ccc(-n2ccc3cc(-c4cc(-c5ccc6c(ccn6-c6ccccc6)c5)c5[nH]c6ccccc6c5c4)ccc32)cc1
InChIInChI=1S/C40H27N3.C2H6.H2/c1-3-9-32(10-4-1)42-21-19-29-23-27(15-17-38(29)42)31-25-35(40-36(26-31)34-13-7-8-14-37(34)41-40)28-16-18-39-30(24-28)20-22-43(39)33-11-5-2-6-12-33;1-2;/h1-26,41H;1-2H3;1H
InChIKeyCLFJOXHNUZUVEB-UHFFFAOYSA-N
MW581.76 g/mol
LogP11.82
Rot. Bonds4

About 1,3-bis(1-phenylindol-5-yl)-9H-carbazole;ethane;molecular hydrogen

1,3-bis(1-phenylindol-5-yl)-9H-carbazole;ethane;molecular hydrogen (PubChem CID 144941684) has the molecular formula C42H35N3 and a molecular weight of 581.76 g/mol. Its IUPAC name is 1,3-bis(1-phenylindol-5-yl)-9H-carbazole;ethane;molecular hydrogen.

Molecular Properties

Compound Name1,3-bis(1-phenylindol-5-yl)-9H-carbazole;ethane;molecular hydrogen
PubChem CID144941684
Molecular FormulaC42H35N3
Molecular Weight581.76 g/mol
Exact Mass581.28
IUPAC Name1,3-bis(1-phenylindol-5-yl)-9H-carbazole;ethane;molecular hydrogen
SMILESCC.[H][H].c1ccc(-n2ccc3cc(-c4cc(-c5ccc6c(ccn6-c6ccccc6)c5)c5[nH]c6ccccc6c5c4)ccc32)cc1
InChIInChI=1S/C40H27N3.C2H6.H2/c1-3-9-32(10-4-1)42-21-19-29-23-27(15-17-38(29)42)31-25-35(40-36(26-31)34-13-7-8-14-37(34)41-40)28-16-18-39-30(24-28)20-22-43(39)33-11-5-2-6-12-33;1-2;/h1-26,41H;1-2H3;1H
InChIKeyCLFJOXHNUZUVEB-UHFFFAOYSA-N
XLogP11.82
TPSA25.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.76
LogP ≤ 511.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-3-(1-phenyl-9H-carbazol-3-yl)-9H-carbazole
CID 175910913
7-phenyl-7,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2(10),3,5,8,11,14,16,18-nonaene
CID 90223157
1,3-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-carbazole
CID 118448496
3-[1-(2,4-diphenylphenyl)indol-5-yl]-9-phenylcarbazole
CID 129290112
1,3,6-triphenyl-9H-carbazole
CID 118052457
3-phenyl-9-[4-(3-phenylcarbazol-9-yl)phenyl]pyrrolo[3,2-b]carbazole
CID 118315232
3-(3,5-dibromophenyl)-9-(1-phenylindol-5-yl)carbazole
CID 122472199
6-(2-nitrophenyl)-1-phenylindole;1-phenyl-10H-pyrrolo[2,3-a]carbazole;3-phenyl-9H-pyrrolo[3,2-b]carbazole
CID 159920528
3-(9H-carbazol-3-yl)-1-naphthalen-1-yl-9H-carbazole
CID 175403206
1-(6,9-diphenylcarbazol-3-yl)-8-(2,6-diphenylpyrimidin-4-yl)-3,6-diphenyl-9H-carbazole
CID 118020165
7-phenyl-7,20-diazapentacyclo[11.7.0.03,11.04,8.014,19]icosa-1(13),2,4(8),5,9,11,14,16,18-nonaene
CID 90223239
5-[3-(3,5-diphenylphenyl)-5-pyrimidin-5-ylphenyl]-1-phenylindole
CID 155180269

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(1-phenylindol-5-yl)-9H-carbazole;ethane;molecular hydrogen?
The IUPAC name of 1,3-bis(1-phenylindol-5-yl)-9H-carbazole;ethane;molecular hydrogen (CID 144941684) is 1,3-bis(1-phenylindol-5-yl)-9H-carbazole;ethane;molecular hydrogen.
What is the SMILES notation for 1,3-bis(1-phenylindol-5-yl)-9H-carbazole;ethane;molecular hydrogen?
The canonical SMILES for 1,3-bis(1-phenylindol-5-yl)-9H-carbazole;ethane;molecular hydrogen is CC.[H][H].c1ccc(-n2ccc3cc(-c4cc(-c5ccc6c(ccn6-c6ccccc6)c5)c5[nH]c6ccccc6c5c4)ccc32)cc1.
What is the InChIKey of 1,3-bis(1-phenylindol-5-yl)-9H-carbazole;ethane;molecular hydrogen?
The InChIKey is CLFJOXHNUZUVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27N3.C2H6.H2/c1-3-9-32(10-4-1)42-21-19-29-23-27(15-17-38(29)42)31-25-35(40-36(26-31)34-13-7-8-14-37(34)41-40)28-16-18-39-30(24-28)20-22-43(39)33-11-5-2-6-12-33;1-2;/h1-26,41H;1-2H3;1H.
What are the key properties of 1,3-bis(1-phenylindol-5-yl)-9H-carbazole;ethane;molecular hydrogen?
1,3-bis(1-phenylindol-5-yl)-9H-carbazole;ethane;molecular hydrogen has a molecular weight of 581.76 g/mol, XLogP of 11.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(1-phenylindol-5-yl)-9H-carbazole;ethane;molecular hydrogen is sourced from PubChem (CID 144941684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).