10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]-3-phenylpyrrolo[3,2-a]carbazole

C50H35N5 — CID 123326933

IUPAC10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]-3-phenylpyrrolo[3,2-a]carbazole
SMILESCC1(C)c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2ccc(-n3c4ccccc4c4ccc5c(ccn5-c5ccccc5)c43)cc21
InChIInChI=1S/C50H35N5/c1-50(2)42-30-34(49-52-47(32-14-6-3-7-15-32)51-48(53-49)33-16-8-4-9-17-33)22-24-37(42)38-25-23-36(31-43(38)50)55-45-21-13-12-20-39(45)40-26-27-44-41(46(40)55)28-29-54(44)35-18-10-5-11-19-35/h3-31H,1-2H3
InChIKeyGRWMGGZIFLGYDW-UHFFFAOYSA-N
MW705.87 g/mol
LogP12.22
Rot. Bonds5

About 10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]-3-phenylpyrrolo[3,2-a]carbazole

10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]-3-phenylpyrrolo[3,2-a]carbazole (PubChem CID 123326933) has the molecular formula C50H35N5 and a molecular weight of 705.87 g/mol. Its IUPAC name is 10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]-3-phenylpyrrolo[3,2-a]carbazole.

Molecular Properties

Compound Name10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]-3-phenylpyrrolo[3,2-a]carbazole
PubChem CID123326933
Molecular FormulaC50H35N5
Molecular Weight705.87 g/mol
Exact Mass705.29
IUPAC Name10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]-3-phenylpyrrolo[3,2-a]carbazole
SMILESCC1(C)c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2ccc(-n3c4ccccc4c4ccc5c(ccn5-c5ccccc5)c43)cc21
InChIInChI=1S/C50H35N5/c1-50(2)42-30-34(49-52-47(32-14-6-3-7-15-32)51-48(53-49)33-16-8-4-9-17-33)22-24-37(42)38-25-23-36(31-43(38)50)55-45-21-13-12-20-39(45)40-26-27-44-41(46(40)55)28-29-54(44)35-18-10-5-11-19-35/h3-31H,1-2H3
InChIKeyGRWMGGZIFLGYDW-UHFFFAOYSA-N
XLogP12.22
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.87
LogP ≤ 512.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

11-(9,9-dimethylfluoren-2-yl)-12-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole
CID 121385363
10-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-phenylpyrrolo[3,2-a]carbazole
CID 123855257
3-(3,5-diphenylphenyl)-10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]pyrrolo[3,2-a]carbazole
CID 90130566
3-carbazol-9-yl-9-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 147106335
CID 90062447
CID 90062447
1-(9,9-dimethylfluoren-2-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 147949558
12-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7'-(11-phenylindolo[2,3-a]carbazol-12-yl)-9,9'-spirobi[fluorene]-2'-yl]-11-phenylindolo[2,3-a]carbazole
CID 88886983
20-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenyl-6,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),4,8,11,14,16,18-nonaene
CID 90223334
10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-3-phenyl-7-(9-phenylcarbazol-3-yl)pyrrolo[3,2-a]carbazole
CID 90183196
14-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-10,19-diphenyl-10,14,19-triazahexacyclo[11.10.0.03,11.04,9.015,23.016,20]tricosa-1(13),2,4,6,8,11,15(23),16(20),17,21-decaene
CID 90267426
9-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]carbazole;9-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]carbazole
CID 160549549
3-phenyl-10-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrrolo[3,2-a]carbazole
CID 118316102

Frequently Asked Questions

What is the IUPAC name of 10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]-3-phenylpyrrolo[3,2-a]carbazole?
The IUPAC name of 10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]-3-phenylpyrrolo[3,2-a]carbazole (CID 123326933) is 10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]-3-phenylpyrrolo[3,2-a]carbazole.
What is the SMILES notation for 10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]-3-phenylpyrrolo[3,2-a]carbazole?
The canonical SMILES for 10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]-3-phenylpyrrolo[3,2-a]carbazole is CC1(C)c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2ccc(-n3c4ccccc4c4ccc5c(ccn5-c5ccccc5)c43)cc21.
What is the InChIKey of 10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]-3-phenylpyrrolo[3,2-a]carbazole?
The InChIKey is GRWMGGZIFLGYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H35N5/c1-50(2)42-30-34(49-52-47(32-14-6-3-7-15-32)51-48(53-49)33-16-8-4-9-17-33)22-24-37(42)38-25-23-36(31-43(38)50)55-45-21-13-12-20-39(45)40-26-27-44-41(46(40)55)28-29-54(44)35-18-10-5-11-19-35/h3-31H,1-2H3.
What are the key properties of 10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]-3-phenylpyrrolo[3,2-a]carbazole?
10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]-3-phenylpyrrolo[3,2-a]carbazole has a molecular weight of 705.87 g/mol, XLogP of 12.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]-3-phenylpyrrolo[3,2-a]carbazole is sourced from PubChem (CID 123326933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).