7-carbazol-9-yl-12-phenyl-5-[4-phenyl-6-(9-phenyl-9H-fluoren-4-yl)-1,3,5-triazin-2-yl]indolo[3,2-a]carbazole

C64H40N6 — CID 168729367

IUPAC7-carbazol-9-yl-12-phenyl-5-[4-phenyl-6-(9-phenyl-9H-fluoren-4-yl)-1,3,5-triazin-2-yl]indolo[3,2-a]carbazole
SMILESc1ccc(-c2nc(-c3cccc4c3-c3ccccc3C4c3ccccc3)nc(-n3c4ccccc4c4c3cc(-n3c5ccccc5c5ccccc53)c3c5ccccc5n(-c5ccccc5)c34)n2)cc1
InChIInChI=1S/C64H40N6/c1-4-21-40(22-5-1)57-45-29-10-11-30-46(45)58-49(57)33-20-34-50(58)63-65-62(41-23-6-2-7-24-41)66-64(67-63)70-54-38-19-15-32-48(54)60-56(70)39-55(69-51-35-16-12-27-43(51)44-28-13-17-36-52(44)69)59-47-31-14-18-37-53(47)68(61(59)60)42-25-8-3-9-26-42/h1-39,57H
InChIKeyRRHBNCXYXDFSRQ-UHFFFAOYSA-N
MW893.07 g/mol
LogP15.66
Rot. Bonds6

About 7-carbazol-9-yl-12-phenyl-5-[4-phenyl-6-(9-phenyl-9H-fluoren-4-yl)-1,3,5-triazin-2-yl]indolo[3,2-a]carbazole

7-carbazol-9-yl-12-phenyl-5-[4-phenyl-6-(9-phenyl-9H-fluoren-4-yl)-1,3,5-triazin-2-yl]indolo[3,2-a]carbazole (PubChem CID 168729367) has the molecular formula C64H40N6 and a molecular weight of 893.07 g/mol. Its IUPAC name is 7-carbazol-9-yl-12-phenyl-5-[4-phenyl-6-(9-phenyl-9H-fluoren-4-yl)-1,3,5-triazin-2-yl]indolo[3,2-a]carbazole.

Molecular Properties

Compound Name7-carbazol-9-yl-12-phenyl-5-[4-phenyl-6-(9-phenyl-9H-fluoren-4-yl)-1,3,5-triazin-2-yl]indolo[3,2-a]carbazole
PubChem CID168729367
Molecular FormulaC64H40N6
Molecular Weight893.07 g/mol
Exact Mass892.33
IUPAC Name7-carbazol-9-yl-12-phenyl-5-[4-phenyl-6-(9-phenyl-9H-fluoren-4-yl)-1,3,5-triazin-2-yl]indolo[3,2-a]carbazole
SMILESc1ccc(-c2nc(-c3cccc4c3-c3ccccc3C4c3ccccc3)nc(-n3c4ccccc4c4c3cc(-n3c5ccccc5c5ccccc53)c3c5ccccc5n(-c5ccccc5)c34)n2)cc1
InChIInChI=1S/C64H40N6/c1-4-21-40(22-5-1)57-45-29-10-11-30-46(45)58-49(57)33-20-34-50(58)63-65-62(41-23-6-2-7-24-41)66-64(67-63)70-54-38-19-15-32-48(54)60-56(70)39-55(69-51-35-16-12-27-43(51)44-28-13-17-36-52(44)69)59-47-31-14-18-37-53(47)68(61(59)60)42-25-8-3-9-26-42/h1-39,57H
InChIKeyRRHBNCXYXDFSRQ-UHFFFAOYSA-N
XLogP15.66
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500893.07
LogP ≤ 515.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 130266334
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-(9H-fluoren-9-yl)phenyl]indolo[2,3-a]carbazole
CID 170268470
4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenyl-9H-indeno[2,1-c]pyridine
CID 163689647
12-phenyl-7-(3-phenylphenyl)-5-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-a]carbazole
CID 164799980
11,12-diphenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole
CID 170255530
5-carbazol-9-yl-11-(4-phenylphenyl)-12-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 168729290
12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 169037201
6-carbazol-9-yl-5-phenyl-12-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 168729529
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 58142333
9-[2-carbazol-9-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 156577587
5-carbazol-9-yl-12-(3-phenylphenyl)-11-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 168729219
5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 149424415

Frequently Asked Questions

What is the IUPAC name of 7-carbazol-9-yl-12-phenyl-5-[4-phenyl-6-(9-phenyl-9H-fluoren-4-yl)-1,3,5-triazin-2-yl]indolo[3,2-a]carbazole?
The IUPAC name of 7-carbazol-9-yl-12-phenyl-5-[4-phenyl-6-(9-phenyl-9H-fluoren-4-yl)-1,3,5-triazin-2-yl]indolo[3,2-a]carbazole (CID 168729367) is 7-carbazol-9-yl-12-phenyl-5-[4-phenyl-6-(9-phenyl-9H-fluoren-4-yl)-1,3,5-triazin-2-yl]indolo[3,2-a]carbazole.
What is the SMILES notation for 7-carbazol-9-yl-12-phenyl-5-[4-phenyl-6-(9-phenyl-9H-fluoren-4-yl)-1,3,5-triazin-2-yl]indolo[3,2-a]carbazole?
The canonical SMILES for 7-carbazol-9-yl-12-phenyl-5-[4-phenyl-6-(9-phenyl-9H-fluoren-4-yl)-1,3,5-triazin-2-yl]indolo[3,2-a]carbazole is c1ccc(-c2nc(-c3cccc4c3-c3ccccc3C4c3ccccc3)nc(-n3c4ccccc4c4c3cc(-n3c5ccccc5c5ccccc53)c3c5ccccc5n(-c5ccccc5)c34)n2)cc1.
What is the InChIKey of 7-carbazol-9-yl-12-phenyl-5-[4-phenyl-6-(9-phenyl-9H-fluoren-4-yl)-1,3,5-triazin-2-yl]indolo[3,2-a]carbazole?
The InChIKey is RRHBNCXYXDFSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H40N6/c1-4-21-40(22-5-1)57-45-29-10-11-30-46(45)58-49(57)33-20-34-50(58)63-65-62(41-23-6-2-7-24-41)66-64(67-63)70-54-38-19-15-32-48(54)60-56(70)39-55(69-51-35-16-12-27-43(51)44-28-13-17-36-52(44)69)59-47-31-14-18-37-53(47)68(61(59)60)42-25-8-3-9-26-42/h1-39,57H.
What are the key properties of 7-carbazol-9-yl-12-phenyl-5-[4-phenyl-6-(9-phenyl-9H-fluoren-4-yl)-1,3,5-triazin-2-yl]indolo[3,2-a]carbazole?
7-carbazol-9-yl-12-phenyl-5-[4-phenyl-6-(9-phenyl-9H-fluoren-4-yl)-1,3,5-triazin-2-yl]indolo[3,2-a]carbazole has a molecular weight of 893.07 g/mol, XLogP of 15.66, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-carbazol-9-yl-12-phenyl-5-[4-phenyl-6-(9-phenyl-9H-fluoren-4-yl)-1,3,5-triazin-2-yl]indolo[3,2-a]carbazole is sourced from PubChem (CID 168729367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).