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

C54H44N4 — CID 129311945

IUPAC3-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazinan-2-yl]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5C4NC(c5ccccc5)NC(c5ccc(-c6ccccc6)cc5)N4)cc3)cc21
InChIInChI=1S/C54H44N4/c1-54(2)47-19-11-9-17-43(47)44-31-29-42(34-48(44)54)38-23-21-37(22-24-38)41-30-32-50-46(33-41)45-18-10-12-20-49(45)58(50)53-56-51(39-15-7-4-8-16-39)55-52(57-53)40-27-25-36(26-28-40)35-13-5-3-6-14-35/h3-34,51-53,55-57H,1-2H3
InChIKeyISFUUIXTCHNBMA-UHFFFAOYSA-N
MW748.97 g/mol
LogP12.74
Rot. Bonds6

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

3-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazinan-2-yl]carbazole (PubChem CID 129311945) has the molecular formula C54H44N4 and a molecular weight of 748.97 g/mol. Its IUPAC name is 3-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazinan-2-yl]carbazole.

Molecular Properties

Compound Name3-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazinan-2-yl]carbazole
PubChem CID129311945
Molecular FormulaC54H44N4
Molecular Weight748.97 g/mol
Exact Mass748.36
IUPAC Name3-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazinan-2-yl]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5C4NC(c5ccccc5)NC(c5ccc(-c6ccccc6)cc5)N4)cc3)cc21
InChIInChI=1S/C54H44N4/c1-54(2)47-19-11-9-17-43(47)44-31-29-42(34-48(44)54)38-23-21-37(22-24-38)41-30-32-50-46(33-41)45-18-10-12-20-49(45)58(50)53-56-51(39-15-7-4-8-16-39)55-52(57-53)40-27-25-36(26-28-40)35-13-5-3-6-14-35/h3-34,51-53,55-57H,1-2H3
InChIKeyISFUUIXTCHNBMA-UHFFFAOYSA-N
XLogP12.74
TPSA41.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500748.97
LogP ≤ 512.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4,6-diphenyl-1,3,5-triazinan-2-yl)-11,11-dimethyl-2-phenylindeno[1,2-b]carbazole
CID 163706883
2-cyclohexa-1,5-dien-1-yl-5-(4,6-diphenyl-1,3,5-triazinan-2-yl)-11,11-dimethylindeno[1,2-b]carbazole
CID 145067902
3-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3,5-diphenylphenyl)carbazole
CID 129311960
3-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3,5-diphenylphenyl)carbazole
CID 129311922
3-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-[4-(6-phenyl-1,2,3,4-tetrahydropyrimidin-2-yl)phenyl]carbazole
CID 129311931
9-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]carbazole
CID 59195147
3-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9-methylcarbazole
CID 59195703
3-[3-(9,9-dimethylfluoren-2-yl)-5-triphenylen-2-ylphenyl]-6,9-diphenylcarbazole;9-phenyl-3-[3-(3-phenylphenyl)-5-triphenylen-2-ylphenyl]carbazole;9-phenyl-3-[3-(4-phenylphenyl)-5-triphenylen-2-ylphenyl]carbazole
CID 161477367
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 163801693
9-(9,9-dimethylfluoren-2-yl)-10-(3-phenylphenyl)anthracene
CID 58782801
2-[3-(9,9-dimethylfluoren-2-yl)-5-(3-phenylcarbazol-9-yl)phenyl]-9-phenylcarbazole
CID 122492205
9-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-phenylcarbazole
CID 158012983

Frequently Asked Questions

What is the IUPAC name of 3-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazinan-2-yl]carbazole?
The IUPAC name of 3-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazinan-2-yl]carbazole (CID 129311945) is 3-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazinan-2-yl]carbazole.
What is the SMILES notation for 3-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazinan-2-yl]carbazole?
The canonical SMILES for 3-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazinan-2-yl]carbazole is CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5C4NC(c5ccccc5)NC(c5ccc(-c6ccccc6)cc5)N4)cc3)cc21.
What is the InChIKey of 3-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazinan-2-yl]carbazole?
The InChIKey is ISFUUIXTCHNBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H44N4/c1-54(2)47-19-11-9-17-43(47)44-31-29-42(34-48(44)54)38-23-21-37(22-24-38)41-30-32-50-46(33-41)45-18-10-12-20-49(45)58(50)53-56-51(39-15-7-4-8-16-39)55-52(57-53)40-27-25-36(26-28-40)35-13-5-3-6-14-35/h3-34,51-53,55-57H,1-2H3.
What are the key properties of 3-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazinan-2-yl]carbazole?
3-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazinan-2-yl]carbazole has a molecular weight of 748.97 g/mol, XLogP of 12.74, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazinan-2-yl]carbazole is sourced from PubChem (CID 129311945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).