5-[4-(4,6-diphenyl-1,3,5-triazinan-2-yl)-1H-pyrrol-2-yl]-7-phenylindolo[2,3-b]carbazole

C43H34N6 — CID 163706708

IUPAC5-[4-(4,6-diphenyl-1,3,5-triazinan-2-yl)-1H-pyrrol-2-yl]-7-phenylindolo[2,3-b]carbazole
SMILESc1ccc(C2NC(c3ccccc3)NC(c3c[nH]c(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)c3)N2)cc1
InChIInChI=1S/C43H34N6/c1-4-14-28(15-5-1)41-45-42(29-16-6-2-7-17-29)47-43(46-41)30-24-40(44-27-30)49-37-23-13-11-21-33(37)35-25-34-32-20-10-12-22-36(32)48(38(34)26-39(35)49)31-18-8-3-9-19-31/h1-27,41-47H
InChIKeyXTOLTWIOASLZDF-UHFFFAOYSA-N
MW634.79 g/mol
LogP9.39
Rot. Bonds5

About 5-[4-(4,6-diphenyl-1,3,5-triazinan-2-yl)-1H-pyrrol-2-yl]-7-phenylindolo[2,3-b]carbazole

5-[4-(4,6-diphenyl-1,3,5-triazinan-2-yl)-1H-pyrrol-2-yl]-7-phenylindolo[2,3-b]carbazole (PubChem CID 163706708) has the molecular formula C43H34N6 and a molecular weight of 634.79 g/mol. Its IUPAC name is 5-[4-(4,6-diphenyl-1,3,5-triazinan-2-yl)-1H-pyrrol-2-yl]-7-phenylindolo[2,3-b]carbazole.

Molecular Properties

Compound Name5-[4-(4,6-diphenyl-1,3,5-triazinan-2-yl)-1H-pyrrol-2-yl]-7-phenylindolo[2,3-b]carbazole
PubChem CID163706708
Molecular FormulaC43H34N6
Molecular Weight634.79 g/mol
Exact Mass634.28
IUPAC Name5-[4-(4,6-diphenyl-1,3,5-triazinan-2-yl)-1H-pyrrol-2-yl]-7-phenylindolo[2,3-b]carbazole
SMILESc1ccc(C2NC(c3ccccc3)NC(c3c[nH]c(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)c3)N2)cc1
InChIInChI=1S/C43H34N6/c1-4-14-28(15-5-1)41-45-42(29-16-6-2-7-17-29)47-43(46-41)30-24-40(44-27-30)49-37-23-13-11-21-33(37)35-25-34-32-20-10-12-22-36(32)48(38(34)26-39(35)49)31-18-8-3-9-19-31/h1-27,41-47H
InChIKeyXTOLTWIOASLZDF-UHFFFAOYSA-N
XLogP9.39
TPSA61.74 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.79
LogP ≤ 59.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazinan-2-yl]phenyl]-9-phenylcarbazole
CID 170061394
11-[3-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-15-phenyl-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene
CID 126678107
11-[4-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole
CID 145077596
2-carbazol-9-yl-5,7-diphenylindolo[2,3-b]carbazole
CID 118504684
5-[3-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole
CID 166588030
16-(3-carbazol-9-ylphenyl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene
CID 155465799
11,19-diphenyl-11,15,19-triazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 139504800
5,7-bis(4-phenylphenyl)indolo[2,3-b]carbazole;5,7-diphenylindolo[2,3-b]carbazole;5-(3,5-diphenylphenyl)-7-phenylindolo[2,3-b]carbazole;5-[4-(3,5-diphenylphenyl)phenyl]-7-phenylindolo[2,3-b]carbazole
CID 159483264
5-[3-[3-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole
CID 145085378
5,7-bis(4-phenylphenyl)indolo[2,3-b]carbazole;5,7-diphenylindolo[2,3-b]carbazole;5-(3,5-diphenylphenyl)-7-(4-phenylphenyl)indolo[2,3-b]carbazole;7-phenyl-5-(4-phenylphenyl)indolo[2,3-b]carbazole
CID 159455961
25-(4,6-diphenyl-1,3,5-triazinan-2-yl)-15-phenyl-5-oxa-15,25-diazaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,26-dodecaene
CID 126680118
16-(3,5-diphenylphenyl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene
CID 122465584

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4,6-diphenyl-1,3,5-triazinan-2-yl)-1H-pyrrol-2-yl]-7-phenylindolo[2,3-b]carbazole?
The IUPAC name of 5-[4-(4,6-diphenyl-1,3,5-triazinan-2-yl)-1H-pyrrol-2-yl]-7-phenylindolo[2,3-b]carbazole (CID 163706708) is 5-[4-(4,6-diphenyl-1,3,5-triazinan-2-yl)-1H-pyrrol-2-yl]-7-phenylindolo[2,3-b]carbazole.
What is the SMILES notation for 5-[4-(4,6-diphenyl-1,3,5-triazinan-2-yl)-1H-pyrrol-2-yl]-7-phenylindolo[2,3-b]carbazole?
The canonical SMILES for 5-[4-(4,6-diphenyl-1,3,5-triazinan-2-yl)-1H-pyrrol-2-yl]-7-phenylindolo[2,3-b]carbazole is c1ccc(C2NC(c3ccccc3)NC(c3c[nH]c(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)c3)N2)cc1.
What is the InChIKey of 5-[4-(4,6-diphenyl-1,3,5-triazinan-2-yl)-1H-pyrrol-2-yl]-7-phenylindolo[2,3-b]carbazole?
The InChIKey is XTOLTWIOASLZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H34N6/c1-4-14-28(15-5-1)41-45-42(29-16-6-2-7-17-29)47-43(46-41)30-24-40(44-27-30)49-37-23-13-11-21-33(37)35-25-34-32-20-10-12-22-36(32)48(38(34)26-39(35)49)31-18-8-3-9-19-31/h1-27,41-47H.
What are the key properties of 5-[4-(4,6-diphenyl-1,3,5-triazinan-2-yl)-1H-pyrrol-2-yl]-7-phenylindolo[2,3-b]carbazole?
5-[4-(4,6-diphenyl-1,3,5-triazinan-2-yl)-1H-pyrrol-2-yl]-7-phenylindolo[2,3-b]carbazole has a molecular weight of 634.79 g/mol, XLogP of 9.39, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4,6-diphenyl-1,3,5-triazinan-2-yl)-1H-pyrrol-2-yl]-7-phenylindolo[2,3-b]carbazole is sourced from PubChem (CID 163706708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).