12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[3-[3-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)-6a,11a-dihydroindolo[2,3-a]carbazol-11-yl]phenyl]phenyl]indolo[2,3-a]carbazole

C78H50N10 — CID 87486905

IUPAC12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[3-[3-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)-6a,11a-dihydroindolo[2,3-a]carbazol-11-yl]phenyl]phenyl]indolo[2,3-a]carbazole
SMILESC1=CC2c3ccccc3N(c3cccc(-c4cccc(-n5c6ccccc6c6ccc7c8ccccc8n(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c7c65)c4)c3)C2c2c1c1ccccc1n2-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C78H50N10/c1-5-23-49(24-6-1)73-79-74(50-25-7-2-8-26-50)82-77(81-73)87-67-41-19-15-37-59(67)63-45-43-61-57-35-13-17-39-65(57)85(69(61)71(63)87)55-33-21-31-53(47-55)54-32-22-34-56(48-54)86-66-40-18-14-36-58(66)62-44-46-64-60-38-16-20-42-68(60)88(72(64)70(62)86)78-83-75(51-27-9-3-10-28-51)80-76(84-78)52-29-11-4-12-30-52/h1-48,61,69H
InChIKeyQONAQXPVNTVKCM-UHFFFAOYSA-N
MW1127.33 g/mol
LogP18.53
Rot. Bonds9

About 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[3-[3-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)-6a,11a-dihydroindolo[2,3-a]carbazol-11-yl]phenyl]phenyl]indolo[2,3-a]carbazole

12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[3-[3-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)-6a,11a-dihydroindolo[2,3-a]carbazol-11-yl]phenyl]phenyl]indolo[2,3-a]carbazole (PubChem CID 87486905) has the molecular formula C78H50N10 and a molecular weight of 1127.33 g/mol. Its IUPAC name is 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[3-[3-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)-6a,11a-dihydroindolo[2,3-a]carbazol-11-yl]phenyl]phenyl]indolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[3-[3-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)-6a,11a-dihydroindolo[2,3-a]carbazol-11-yl]phenyl]phenyl]indolo[2,3-a]carbazole
PubChem CID87486905
Molecular FormulaC78H50N10
Molecular Weight1127.33 g/mol
Exact Mass1126.42
IUPAC Name12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[3-[3-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)-6a,11a-dihydroindolo[2,3-a]carbazol-11-yl]phenyl]phenyl]indolo[2,3-a]carbazole
SMILESC1=CC2c3ccccc3N(c3cccc(-c4cccc(-n5c6ccccc6c6ccc7c8ccccc8n(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c7c65)c4)c3)C2c2c1c1ccccc1n2-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C78H50N10/c1-5-23-49(24-6-1)73-79-74(50-25-7-2-8-26-50)82-77(81-73)87-67-41-19-15-37-59(67)63-45-43-61-57-35-13-17-39-65(57)85(69(61)71(63)87)55-33-21-31-53(47-55)54-32-22-34-56(48-54)86-66-40-18-14-36-58(66)62-44-46-64-60-38-16-20-42-68(60)88(72(64)70(62)86)78-83-75(51-27-9-3-10-28-51)80-76(84-78)52-29-11-4-12-30-52/h1-48,61,69H
InChIKeyQONAQXPVNTVKCM-UHFFFAOYSA-N
XLogP18.53
TPSA95.37 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001127.33
LogP ≤ 518.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[3-[3-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)-6a,11a-dihydroindolo[2,3-a]carbazol-11-yl]phenyl]phenyl]indolo[2,3-a]carbazole with MolForge

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Related Compounds

11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 169037529
12-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-(3-phenylphenyl)indolo[2,3-a]carbazole
CID 170268449
11-(3-phenylphenyl)-12-[4-phenyl-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 167203855
12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-11-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole
CID 169037526
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[3-(3-phenylphenyl)phenyl]indolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[3-(4-phenylphenyl)phenyl]indolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-(3-phenylphenyl)phenyl]indolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-(4-phenylphenyl)phenyl]indolo[2,3-a]carbazole
CID 158055885
12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole;12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;11-phenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 161432881
2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4a,9a-dihydrocarbazol-9-yl]phenyl]-9-phenylcarbazole
CID 139456080
12,15-diphenyl-18-[4-phenyl-6-(5-phenyl-6a,11a-dihydroindolo[3,2-b]carbazol-11-yl)-1,3,5-triazin-2-yl]-12,15,18-triazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 89303109
11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole
CID 169037513
2-[3-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-6a,11a-dihydroindolo[2,3-a]carbazol-12-yl]-5-phenylphenyl]-1,3-benzoxazole
CID 174273358
11-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-carbazol-9-yl-12-(3-phenylphenyl)indolo[2,3-a]carbazole
CID 168729405
11-(3-phenylphenyl)-12-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 134507200

Frequently Asked Questions

What is the IUPAC name of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[3-[3-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)-6a,11a-dihydroindolo[2,3-a]carbazol-11-yl]phenyl]phenyl]indolo[2,3-a]carbazole?
The IUPAC name of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[3-[3-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)-6a,11a-dihydroindolo[2,3-a]carbazol-11-yl]phenyl]phenyl]indolo[2,3-a]carbazole (CID 87486905) is 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[3-[3-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)-6a,11a-dihydroindolo[2,3-a]carbazol-11-yl]phenyl]phenyl]indolo[2,3-a]carbazole.
What is the SMILES notation for 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[3-[3-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)-6a,11a-dihydroindolo[2,3-a]carbazol-11-yl]phenyl]phenyl]indolo[2,3-a]carbazole?
The canonical SMILES for 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[3-[3-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)-6a,11a-dihydroindolo[2,3-a]carbazol-11-yl]phenyl]phenyl]indolo[2,3-a]carbazole is C1=CC2c3ccccc3N(c3cccc(-c4cccc(-n5c6ccccc6c6ccc7c8ccccc8n(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c7c65)c4)c3)C2c2c1c1ccccc1n2-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[3-[3-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)-6a,11a-dihydroindolo[2,3-a]carbazol-11-yl]phenyl]phenyl]indolo[2,3-a]carbazole?
The InChIKey is QONAQXPVNTVKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H50N10/c1-5-23-49(24-6-1)73-79-74(50-25-7-2-8-26-50)82-77(81-73)87-67-41-19-15-37-59(67)63-45-43-61-57-35-13-17-39-65(57)85(69(61)71(63)87)55-33-21-31-53(47-55)54-32-22-34-56(48-54)86-66-40-18-14-36-58(66)62-44-46-64-60-38-16-20-42-68(60)88(72(64)70(62)86)78-83-75(51-27-9-3-10-28-51)80-76(84-78)52-29-11-4-12-30-52/h1-48,61,69H.
What are the key properties of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[3-[3-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)-6a,11a-dihydroindolo[2,3-a]carbazol-11-yl]phenyl]phenyl]indolo[2,3-a]carbazole?
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[3-[3-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)-6a,11a-dihydroindolo[2,3-a]carbazol-11-yl]phenyl]phenyl]indolo[2,3-a]carbazole has a molecular weight of 1127.33 g/mol, XLogP of 18.53, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[3-[3-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)-6a,11a-dihydroindolo[2,3-a]carbazol-11-yl]phenyl]phenyl]indolo[2,3-a]carbazole is sourced from PubChem (CID 87486905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).