9-[2-[4-(9,9-dimethylfluoren-1-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenyl-5-(9-phenylcarbazol-4-yl)carbazole

C72H49N5 — CID 174274717

IUPAC9-[2-[4-(9,9-dimethylfluoren-1-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenyl-5-(9-phenylcarbazol-4-yl)carbazole
SMILESCC1(C)c2ccccc2-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4ccccc4-n4c5cc(-c6ccccc6)ccc5c5c(-c6cccc7c6c6ccccc6n7-c6ccccc6)cccc54)n3)c21
InChIInChI=1S/C72H49N5/c1-72(2)60-37-15-12-30-52(60)55-35-19-36-59(68(55)72)71-74-69(50-27-18-26-48(44-50)46-22-6-3-7-23-46)73-70(75-71)58-32-14-17-39-62(58)77-64-41-21-34-54(67(64)57-43-42-49(45-65(57)77)47-24-8-4-9-25-47)53-33-20-40-63-66(53)56-31-13-16-38-61(56)76(63)51-28-10-5-11-29-51/h3-45H,1-2H3
InChIKeyQYUAWVVAGBCQCU-UHFFFAOYSA-N
MW984.22 g/mol
LogP18.37
Rot. Bonds8

About 9-[2-[4-(9,9-dimethylfluoren-1-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenyl-5-(9-phenylcarbazol-4-yl)carbazole

9-[2-[4-(9,9-dimethylfluoren-1-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenyl-5-(9-phenylcarbazol-4-yl)carbazole (PubChem CID 174274717) has the molecular formula C72H49N5 and a molecular weight of 984.22 g/mol. Its IUPAC name is 9-[2-[4-(9,9-dimethylfluoren-1-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenyl-5-(9-phenylcarbazol-4-yl)carbazole.

Molecular Properties

Compound Name9-[2-[4-(9,9-dimethylfluoren-1-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenyl-5-(9-phenylcarbazol-4-yl)carbazole
PubChem CID174274717
Molecular FormulaC72H49N5
Molecular Weight984.22 g/mol
Exact Mass983.40
IUPAC Name9-[2-[4-(9,9-dimethylfluoren-1-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenyl-5-(9-phenylcarbazol-4-yl)carbazole
SMILESCC1(C)c2ccccc2-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4ccccc4-n4c5cc(-c6ccccc6)ccc5c5c(-c6cccc7c6c6ccccc6n7-c6ccccc6)cccc54)n3)c21
InChIInChI=1S/C72H49N5/c1-72(2)60-37-15-12-30-52(60)55-35-19-36-59(68(55)72)71-74-69(50-27-18-26-48(44-50)46-22-6-3-7-23-46)73-70(75-71)58-32-14-17-39-62(58)77-64-41-21-34-54(67(64)57-43-42-49(45-65(57)77)47-24-8-4-9-25-47)53-33-20-40-63-66(53)56-31-13-16-38-61(56)76(63)51-28-10-5-11-29-51/h3-45H,1-2H3
InChIKeyQYUAWVVAGBCQCU-UHFFFAOYSA-N
XLogP18.37
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500984.22
LogP ≤ 518.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

11-[4-[4-(9,9-dimethylfluoren-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-b]carbazole
CID 153028901
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-diphenyl-4-(9-phenylcarbazol-4-yl)carbazole
CID 174272291
9-[2-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenyl-5-(9-phenylcarbazol-4-yl)carbazole
CID 174273466
4-(9-phenylcarbazol-4-yl)-9-[5-phenyl-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 174270121
5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole
CID 155636706
4-(9-phenylcarbazol-4-yl)-9-[5-phenyl-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 174270072
4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-1-yl]-9-phenylcarbazole
CID 167378818
4-[9-[2-carbazol-9-yl-3-[4-[3-[4-[3-[9-[2-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]carbazol-9-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 146325103
9-[2-[4-dibenzothiophen-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]-2-phenyl-5-(9-phenylcarbazol-4-yl)carbazole
CID 174271172
2-[4-(9,9-dimethylfluoren-2-yl)-6-[3-(3-phenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 137402190
5-[9-[2-[4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-4-yl]-2,9-diphenylcarbazole
CID 174273348
5-[3-[4,6-bis[4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[4-[4,6-bis[4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole
CID 158120881

Frequently Asked Questions

What is the IUPAC name of 9-[2-[4-(9,9-dimethylfluoren-1-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenyl-5-(9-phenylcarbazol-4-yl)carbazole?
The IUPAC name of 9-[2-[4-(9,9-dimethylfluoren-1-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenyl-5-(9-phenylcarbazol-4-yl)carbazole (CID 174274717) is 9-[2-[4-(9,9-dimethylfluoren-1-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenyl-5-(9-phenylcarbazol-4-yl)carbazole.
What is the SMILES notation for 9-[2-[4-(9,9-dimethylfluoren-1-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenyl-5-(9-phenylcarbazol-4-yl)carbazole?
The canonical SMILES for 9-[2-[4-(9,9-dimethylfluoren-1-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenyl-5-(9-phenylcarbazol-4-yl)carbazole is CC1(C)c2ccccc2-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4ccccc4-n4c5cc(-c6ccccc6)ccc5c5c(-c6cccc7c6c6ccccc6n7-c6ccccc6)cccc54)n3)c21.
What is the InChIKey of 9-[2-[4-(9,9-dimethylfluoren-1-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenyl-5-(9-phenylcarbazol-4-yl)carbazole?
The InChIKey is QYUAWVVAGBCQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H49N5/c1-72(2)60-37-15-12-30-52(60)55-35-19-36-59(68(55)72)71-74-69(50-27-18-26-48(44-50)46-22-6-3-7-23-46)73-70(75-71)58-32-14-17-39-62(58)77-64-41-21-34-54(67(64)57-43-42-49(45-65(57)77)47-24-8-4-9-25-47)53-33-20-40-63-66(53)56-31-13-16-38-61(56)76(63)51-28-10-5-11-29-51/h3-45H,1-2H3.
What are the key properties of 9-[2-[4-(9,9-dimethylfluoren-1-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenyl-5-(9-phenylcarbazol-4-yl)carbazole?
9-[2-[4-(9,9-dimethylfluoren-1-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenyl-5-(9-phenylcarbazol-4-yl)carbazole has a molecular weight of 984.22 g/mol, XLogP of 18.37, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[4-(9,9-dimethylfluoren-1-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenyl-5-(9-phenylcarbazol-4-yl)carbazole is sourced from PubChem (CID 174274717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).