1-[10-(9,9-diphenylfluoren-1-yl)-8-(9-methylcarbazol-1-yl)anthracen-1-yl]-9-methylcarbazole

C65H44N2 — CID 155333527

IUPAC1-[10-(9,9-diphenylfluoren-1-yl)-8-(9-methylcarbazol-1-yl)anthracen-1-yl]-9-methylcarbazole
SMILESCn1c2ccccc2c2cccc(-c3cccc4c(-c5cccc6c5C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c5cccc(-c6cccc7c8ccccc8n(C)c67)c5cc34)c21
InChIInChI=1S/C65H44N2/c1-66-59-38-13-10-25-46(59)53-34-18-32-51(63(53)66)43-27-15-29-48-56(43)40-57-44(52-33-19-35-54-47-26-11-14-39-60(47)67(2)64(52)54)28-16-30-49(57)61(48)55-36-17-31-50-45-24-9-12-37-58(45)65(62(50)55,41-20-5-3-6-21-41)42-22-7-4-8-23-42/h3-40H,1-2H3
InChIKeyJFHPOWMMKPVMOE-UHFFFAOYSA-N
MW853.08 g/mol
LogP16.65
Rot. Bonds5

About 1-[10-(9,9-diphenylfluoren-1-yl)-8-(9-methylcarbazol-1-yl)anthracen-1-yl]-9-methylcarbazole

1-[10-(9,9-diphenylfluoren-1-yl)-8-(9-methylcarbazol-1-yl)anthracen-1-yl]-9-methylcarbazole (PubChem CID 155333527) has the molecular formula C65H44N2 and a molecular weight of 853.08 g/mol. Its IUPAC name is 1-[10-(9,9-diphenylfluoren-1-yl)-8-(9-methylcarbazol-1-yl)anthracen-1-yl]-9-methylcarbazole.

Molecular Properties

Compound Name1-[10-(9,9-diphenylfluoren-1-yl)-8-(9-methylcarbazol-1-yl)anthracen-1-yl]-9-methylcarbazole
PubChem CID155333527
Molecular FormulaC65H44N2
Molecular Weight853.08 g/mol
Exact Mass852.35
IUPAC Name1-[10-(9,9-diphenylfluoren-1-yl)-8-(9-methylcarbazol-1-yl)anthracen-1-yl]-9-methylcarbazole
SMILESCn1c2ccccc2c2cccc(-c3cccc4c(-c5cccc6c5C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c5cccc(-c6cccc7c8ccccc8n(C)c67)c5cc34)c21
InChIInChI=1S/C65H44N2/c1-66-59-38-13-10-25-46(59)53-34-18-32-51(63(53)66)43-27-15-29-48-56(43)40-57-44(52-33-19-35-54-47-26-11-14-39-60(47)67(2)64(52)54)28-16-30-49(57)61(48)55-36-17-31-50-45-24-9-12-37-58(45)65(62(50)55,41-20-5-3-6-21-41)42-22-7-4-8-23-42/h3-40H,1-2H3
InChIKeyJFHPOWMMKPVMOE-UHFFFAOYSA-N
XLogP16.65
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500853.08
LogP ≤ 516.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

3-[10-(9,9-diphenylfluoren-1-yl)-8-(9-methylcarbazol-3-yl)anthracen-1-yl]-9-methylcarbazole
CID 155333765
4-[10-[9,9-bis(4-methylphenyl)fluoren-1-yl]-8-(9-methylcarbazol-4-yl)anthracen-1-yl]-9-methylcarbazole
CID 155333058
9-methyl-1-[8-(9-methylcarbazol-1-yl)-10-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylanthracen-1-yl]carbazole
CID 146770471
10-methyl-4-[8-(10-methyl-9,9-diphenylacridin-4-yl)-10-(9,9'-spirobi[fluorene]-1-yl)anthracen-1-yl]-9,9-diphenylacridine
CID 155333853
1-[8-(9H-carbazol-1-yl)-10-spiro[benzo[c]fluorene-7,9'-fluorene]-6-ylanthracen-1-yl]-9-methylcarbazole
CID 176643891
6-[8-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-6-yl)-10-(9,9-diphenylfluoren-4-yl)anthracen-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 155334034
1-[10-(9,9-diphenylfluoren-1-yl)-8-(2-phenylbenzimidazol-1-yl)anthracen-1-yl]-2-phenylbenzimidazole
CID 155333714
1-(3-methylnaphthalen-1-yl)-9,9-diphenylfluorene
CID 170522173
3-[8-dibenzofuran-3-yl-10-(9,9-diphenylfluoren-1-yl)anthracen-1-yl]dibenzofuran
CID 155333707
2-[8-dibenzofuran-2-yl-10-(9,9-diphenylfluoren-1-yl)anthracen-1-yl]dibenzofuran
CID 155333779
6-[8-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-6-yl)-10-(9,9-dimethylfluoren-1-yl)anthracen-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 155334874
9-methyl-4-[8-(9-methylcarbazol-4-yl)-10-spiro[benzo[c]fluorene-7,9'-fluorene]-11-ylanthracen-1-yl]carbazole;9-methyl-1-[8-(9-methylcarbazol-1-yl)-10-spiro[cyclopentane-1,9'-fluorene]-1'-ylanthracen-1-yl]carbazole;9-methyl-2-[8-(9-methylcarbazol-2-yl)-10-spiro[cyclopentane-1,9'-fluorene]-1'-ylanthracen-1-yl]carbazole
CID 162220261

Frequently Asked Questions

What is the IUPAC name of 1-[10-(9,9-diphenylfluoren-1-yl)-8-(9-methylcarbazol-1-yl)anthracen-1-yl]-9-methylcarbazole?
The IUPAC name of 1-[10-(9,9-diphenylfluoren-1-yl)-8-(9-methylcarbazol-1-yl)anthracen-1-yl]-9-methylcarbazole (CID 155333527) is 1-[10-(9,9-diphenylfluoren-1-yl)-8-(9-methylcarbazol-1-yl)anthracen-1-yl]-9-methylcarbazole.
What is the SMILES notation for 1-[10-(9,9-diphenylfluoren-1-yl)-8-(9-methylcarbazol-1-yl)anthracen-1-yl]-9-methylcarbazole?
The canonical SMILES for 1-[10-(9,9-diphenylfluoren-1-yl)-8-(9-methylcarbazol-1-yl)anthracen-1-yl]-9-methylcarbazole is Cn1c2ccccc2c2cccc(-c3cccc4c(-c5cccc6c5C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c5cccc(-c6cccc7c8ccccc8n(C)c67)c5cc34)c21.
What is the InChIKey of 1-[10-(9,9-diphenylfluoren-1-yl)-8-(9-methylcarbazol-1-yl)anthracen-1-yl]-9-methylcarbazole?
The InChIKey is JFHPOWMMKPVMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H44N2/c1-66-59-38-13-10-25-46(59)53-34-18-32-51(63(53)66)43-27-15-29-48-56(43)40-57-44(52-33-19-35-54-47-26-11-14-39-60(47)67(2)64(52)54)28-16-30-49(57)61(48)55-36-17-31-50-45-24-9-12-37-58(45)65(62(50)55,41-20-5-3-6-21-41)42-22-7-4-8-23-42/h3-40H,1-2H3.
What are the key properties of 1-[10-(9,9-diphenylfluoren-1-yl)-8-(9-methylcarbazol-1-yl)anthracen-1-yl]-9-methylcarbazole?
1-[10-(9,9-diphenylfluoren-1-yl)-8-(9-methylcarbazol-1-yl)anthracen-1-yl]-9-methylcarbazole has a molecular weight of 853.08 g/mol, XLogP of 16.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[10-(9,9-diphenylfluoren-1-yl)-8-(9-methylcarbazol-1-yl)anthracen-1-yl]-9-methylcarbazole is sourced from PubChem (CID 155333527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).