3-(9,9-dimethyl-7-tritylfluoren-2-yl)-9-phenylcarbazole

C52H39N — CID 59221320

IUPAC3-(9,9-dimethyl-7-tritylfluoren-2-yl)-9-phenylcarbazole
SMILESCC1(C)c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc2-c2ccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C52H39N/c1-51(2)47-34-37(36-28-32-50-46(33-36)45-25-15-16-26-49(45)53(50)42-23-13-6-14-24-42)27-30-43(47)44-31-29-41(35-48(44)51)52(38-17-7-3-8-18-38,39-19-9-4-10-20-39)40-21-11-5-12-22-40/h3-35H,1-2H3
InChIKeyNVKBRNPXVSHOOK-UHFFFAOYSA-N
MW677.89 g/mol
LogP13.14
Rot. Bonds6

About 3-(9,9-dimethyl-7-tritylfluoren-2-yl)-9-phenylcarbazole

3-(9,9-dimethyl-7-tritylfluoren-2-yl)-9-phenylcarbazole (PubChem CID 59221320) has the molecular formula C52H39N and a molecular weight of 677.89 g/mol. Its IUPAC name is 3-(9,9-dimethyl-7-tritylfluoren-2-yl)-9-phenylcarbazole.

Molecular Properties

Compound Name3-(9,9-dimethyl-7-tritylfluoren-2-yl)-9-phenylcarbazole
PubChem CID59221320
Molecular FormulaC52H39N
Molecular Weight677.89 g/mol
Exact Mass677.31
IUPAC Name3-(9,9-dimethyl-7-tritylfluoren-2-yl)-9-phenylcarbazole
SMILESCC1(C)c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc2-c2ccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C52H39N/c1-51(2)47-34-37(36-28-32-50-46(33-36)45-25-15-16-26-49(45)53(50)42-23-13-6-14-24-42)27-30-43(47)44-31-29-41(35-48(44)51)52(38-17-7-3-8-18-38,39-19-9-4-10-20-39)40-21-11-5-12-22-40/h3-35H,1-2H3
InChIKeyNVKBRNPXVSHOOK-UHFFFAOYSA-N
XLogP13.14
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.89
LogP ≤ 513.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

3-(9,9-dimethyl-7-tritylfluoren-2-yl)-9-naphthalen-2-ylcarbazole
CID 59221316
3-(9,9-diethyl-7-tritylfluoren-2-yl)-9-phenylcarbazole
CID 59221286
3-[4-[9,9-dimethyl-7-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]fluoren-2-yl]naphthalen-1-yl]-9-phenylcarbazole
CID 59236172
3-[9,10-bis(4-tert-butylphenyl)-6-(9-phenylcarbazol-3-yl)anthracen-2-yl]-9-phenylcarbazole;3-[9,10-bis(9,9-dimethylfluoren-2-yl)-6-(9-phenylcarbazol-3-yl)anthracen-2-yl]-9-phenylcarbazole
CID 159087841
3-[6-[9,9-dimethyl-7-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]fluoren-2-yl]naphthalen-2-yl]-9-phenylcarbazole
CID 59236707
3-(9-ethyl-9-methyl-7-tritylfluoren-2-yl)-9-(4-fluorophenyl)carbazole
CID 59221295
3-[(E)-2-[4-[7-[9,9-dimethyl-7-[4-[(E)-2-(9-phenylcarbazol-3-yl)ethenyl]phenyl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]ethenyl]-9-phenylcarbazole
CID 59236662
9-(4-tert-butylphenyl)-3-[5-[7-[5-[9-(4-tert-butylphenyl)carbazol-3-yl]thiophen-2-yl]-9,9-dimethylfluoren-2-yl]thiophen-2-yl]carbazole
CID 59236651
9-phenyl-3-[9-(3-phenylphenyl)carbazol-3-yl]-6-tritylcarbazole
CID 130230832
9-phenyl-3-[(E)-2-[4-[6,6,12,12-tetramethyl-2-[4-[(E)-2-(9-phenylcarbazol-3-yl)ethenyl]phenyl]indeno[1,2-b]fluoren-8-yl]phenyl]ethenyl]carbazole
CID 59236371
3-[4-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]phenyl]-9-phenylcarbazole
CID 59236549
3-[4-[7-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9-phenylcarbazole
CID 59236669

Frequently Asked Questions

What is the IUPAC name of 3-(9,9-dimethyl-7-tritylfluoren-2-yl)-9-phenylcarbazole?
The IUPAC name of 3-(9,9-dimethyl-7-tritylfluoren-2-yl)-9-phenylcarbazole (CID 59221320) is 3-(9,9-dimethyl-7-tritylfluoren-2-yl)-9-phenylcarbazole.
What is the SMILES notation for 3-(9,9-dimethyl-7-tritylfluoren-2-yl)-9-phenylcarbazole?
The canonical SMILES for 3-(9,9-dimethyl-7-tritylfluoren-2-yl)-9-phenylcarbazole is CC1(C)c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc2-c2ccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc21.
What is the InChIKey of 3-(9,9-dimethyl-7-tritylfluoren-2-yl)-9-phenylcarbazole?
The InChIKey is NVKBRNPXVSHOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H39N/c1-51(2)47-34-37(36-28-32-50-46(33-36)45-25-15-16-26-49(45)53(50)42-23-13-6-14-24-42)27-30-43(47)44-31-29-41(35-48(44)51)52(38-17-7-3-8-18-38,39-19-9-4-10-20-39)40-21-11-5-12-22-40/h3-35H,1-2H3.
What are the key properties of 3-(9,9-dimethyl-7-tritylfluoren-2-yl)-9-phenylcarbazole?
3-(9,9-dimethyl-7-tritylfluoren-2-yl)-9-phenylcarbazole has a molecular weight of 677.89 g/mol, XLogP of 13.14, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9,9-dimethyl-7-tritylfluoren-2-yl)-9-phenylcarbazole is sourced from PubChem (CID 59221320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).