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

C54H43N — CID 59221286

IUPAC3-(9,9-diethyl-7-tritylfluoren-2-yl)-9-phenylcarbazole
SMILESCCC1(CC)c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc2-c2ccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C54H43N/c1-3-53(4-2)49-36-39(38-30-34-52-48(35-38)47-27-17-18-28-51(47)55(52)44-25-15-8-16-26-44)29-32-45(49)46-33-31-43(37-50(46)53)54(40-19-9-5-10-20-40,41-21-11-6-12-22-41)42-23-13-7-14-24-42/h5-37H,3-4H2,1-2H3
InChIKeyFHEYZRPNEPWQKA-UHFFFAOYSA-N
MW705.95 g/mol
LogP13.92
Rot. Bonds8

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

3-(9,9-diethyl-7-tritylfluoren-2-yl)-9-phenylcarbazole (PubChem CID 59221286) has the molecular formula C54H43N and a molecular weight of 705.95 g/mol. Its IUPAC name is 3-(9,9-diethyl-7-tritylfluoren-2-yl)-9-phenylcarbazole.

Molecular Properties

Compound Name3-(9,9-diethyl-7-tritylfluoren-2-yl)-9-phenylcarbazole
PubChem CID59221286
Molecular FormulaC54H43N
Molecular Weight705.95 g/mol
Exact Mass705.34
IUPAC Name3-(9,9-diethyl-7-tritylfluoren-2-yl)-9-phenylcarbazole
SMILESCCC1(CC)c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc2-c2ccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C54H43N/c1-3-53(4-2)49-36-39(38-30-34-52-48(35-38)47-27-17-18-28-51(47)55(52)44-25-15-8-16-26-44)29-32-45(49)46-33-31-43(37-50(46)53)54(40-19-9-5-10-20-40,41-21-11-6-12-22-41)42-23-13-7-14-24-42/h5-37H,3-4H2,1-2H3
InChIKeyFHEYZRPNEPWQKA-UHFFFAOYSA-N
XLogP13.92
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.95
LogP ≤ 513.92
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-diethyl-7-tritylfluoren-2-yl)-9-(4-pyridin-2-ylphenyl)carbazole
CID 59221309
3-(9,9-dimethyl-7-tritylfluoren-2-yl)-9-phenylcarbazole
CID 59221320
3-(9-ethyl-9-methyl-7-tritylfluoren-2-yl)-9-(4-fluorophenyl)carbazole
CID 59221295
3-(9,9-dimethyl-7-tritylfluoren-2-yl)-9-naphthalen-2-ylcarbazole
CID 59221316
9-phenyl-3-[9-(3-phenylphenyl)carbazol-3-yl]-6-tritylcarbazole
CID 130230832
3-(9,9-diphenyl-7-tritylfluoren-2-yl)-9-ethylcarbazole
CID 59221341
3-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]-9-(4-tritylphenyl)carbazole
CID 130231251
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
9-phenyl-3-(3-tritylcarbazol-9-yl)carbazole
CID 164756650
[9,9-diethyl-7-[9-(4-phenoxyphenyl)carbazol-3-yl]fluoren-2-yl]-triphenylsilane
CID 88881201
9,9-diethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 147008099
3-[4-[9,9-diphenyl-7-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-yl]phenyl]-9-phenylcarbazole
CID 89118693

Frequently Asked Questions

What is the IUPAC name of 3-(9,9-diethyl-7-tritylfluoren-2-yl)-9-phenylcarbazole?
The IUPAC name of 3-(9,9-diethyl-7-tritylfluoren-2-yl)-9-phenylcarbazole (CID 59221286) is 3-(9,9-diethyl-7-tritylfluoren-2-yl)-9-phenylcarbazole.
What is the SMILES notation for 3-(9,9-diethyl-7-tritylfluoren-2-yl)-9-phenylcarbazole?
The canonical SMILES for 3-(9,9-diethyl-7-tritylfluoren-2-yl)-9-phenylcarbazole is CCC1(CC)c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc2-c2ccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc21.
What is the InChIKey of 3-(9,9-diethyl-7-tritylfluoren-2-yl)-9-phenylcarbazole?
The InChIKey is FHEYZRPNEPWQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H43N/c1-3-53(4-2)49-36-39(38-30-34-52-48(35-38)47-27-17-18-28-51(47)55(52)44-25-15-8-16-26-44)29-32-45(49)46-33-31-43(37-50(46)53)54(40-19-9-5-10-20-40,41-21-11-6-12-22-41)42-23-13-7-14-24-42/h5-37H,3-4H2,1-2H3.
What are the key properties of 3-(9,9-diethyl-7-tritylfluoren-2-yl)-9-phenylcarbazole?
3-(9,9-diethyl-7-tritylfluoren-2-yl)-9-phenylcarbazole has a molecular weight of 705.95 g/mol, XLogP of 13.92, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9,9-diethyl-7-tritylfluoren-2-yl)-9-phenylcarbazole is sourced from PubChem (CID 59221286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).