12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-(9H-fluoren-9-yl)phenyl]indolo[2,3-a]carbazole

C52H33N5 — CID 170268470

IUPAC12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-(9H-fluoren-9-yl)phenyl]indolo[2,3-a]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccc(C7c8ccccc8-c8ccccc87)cc6)c5c43)n2)cc1
InChIInChI=1S/C52H33N5/c1-3-15-34(16-4-1)50-53-51(35-17-5-2-6-18-35)55-52(54-50)57-46-26-14-12-22-40(46)44-32-31-43-39-21-11-13-25-45(39)56(48(43)49(44)57)36-29-27-33(28-30-36)47-41-23-9-7-19-37(41)38-20-8-10-24-42(38)47/h1-32,47H
InChIKeyNBPSQVUOIBKFFS-UHFFFAOYSA-N
MW727.87 g/mol
LogP12.56
Rot. Bonds5

About 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-(9H-fluoren-9-yl)phenyl]indolo[2,3-a]carbazole

12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-(9H-fluoren-9-yl)phenyl]indolo[2,3-a]carbazole (PubChem CID 170268470) has the molecular formula C52H33N5 and a molecular weight of 727.87 g/mol. Its IUPAC name is 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-(9H-fluoren-9-yl)phenyl]indolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-(9H-fluoren-9-yl)phenyl]indolo[2,3-a]carbazole
PubChem CID170268470
Molecular FormulaC52H33N5
Molecular Weight727.87 g/mol
Exact Mass727.27
IUPAC Name12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-(9H-fluoren-9-yl)phenyl]indolo[2,3-a]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccc(C7c8ccccc8-c8ccccc87)cc6)c5c43)n2)cc1
InChIInChI=1S/C52H33N5/c1-3-15-34(16-4-1)50-53-51(35-17-5-2-6-18-35)55-52(54-50)57-46-26-14-12-22-40(46)44-32-31-43-39-21-11-13-25-45(39)56(48(43)49(44)57)36-29-27-33(28-30-36)47-41-23-9-7-19-37(41)38-20-8-10-24-42(38)47/h1-32,47H
InChIKeyNBPSQVUOIBKFFS-UHFFFAOYSA-N
XLogP12.56
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.87
LogP ≤ 512.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

12-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole
CID 156556541
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;ethane
CID 160718098
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]indolo[2,3-a]carbazole
CID 169036930
6,31-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(33),22,24(32),25,27,29-pentadecaene
CID 88949841
3-(9H-fluoren-9-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 176723054
9-[4-[4-[4-(9H-fluoren-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 58939534
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-pyridin-4-ylindolo[2,3-a]carbazole
CID 59413482
12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole
CID 169037027
3-carbazol-9-yl-12-(4-phenylphenyl)-11-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 168729477
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[2-(6-phenyl-2-pyridinyl)phenyl]indolo[2,3-a]carbazole
CID 169037362
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-phenylcarbazole
CID 146491445
3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-14-phenyl-3-azapentacyclo[11.9.0.02,10.04,9.015,20]docosa-1(13),2(10),4,6,8,11,15,17,19,21-decaene
CID 171405750

Frequently Asked Questions

What is the IUPAC name of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-(9H-fluoren-9-yl)phenyl]indolo[2,3-a]carbazole?
The IUPAC name of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-(9H-fluoren-9-yl)phenyl]indolo[2,3-a]carbazole (CID 170268470) is 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-(9H-fluoren-9-yl)phenyl]indolo[2,3-a]carbazole.
What is the SMILES notation for 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-(9H-fluoren-9-yl)phenyl]indolo[2,3-a]carbazole?
The canonical SMILES for 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-(9H-fluoren-9-yl)phenyl]indolo[2,3-a]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccc(C7c8ccccc8-c8ccccc87)cc6)c5c43)n2)cc1.
What is the InChIKey of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-(9H-fluoren-9-yl)phenyl]indolo[2,3-a]carbazole?
The InChIKey is NBPSQVUOIBKFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N5/c1-3-15-34(16-4-1)50-53-51(35-17-5-2-6-18-35)55-52(54-50)57-46-26-14-12-22-40(46)44-32-31-43-39-21-11-13-25-45(39)56(48(43)49(44)57)36-29-27-33(28-30-36)47-41-23-9-7-19-37(41)38-20-8-10-24-42(38)47/h1-32,47H.
What are the key properties of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-(9H-fluoren-9-yl)phenyl]indolo[2,3-a]carbazole?
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-(9H-fluoren-9-yl)phenyl]indolo[2,3-a]carbazole has a molecular weight of 727.87 g/mol, XLogP of 12.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-(9H-fluoren-9-yl)phenyl]indolo[2,3-a]carbazole is sourced from PubChem (CID 170268470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).