3-carbazol-9-yl-9-(9,9-dimethylfluoren-2-yl)-1-(9-phenylphenanthren-2-yl)carbazole

C59H40N2 — CID 145060164

IUPAC3-carbazol-9-yl-9-(9,9-dimethylfluoren-2-yl)-1-(9-phenylphenanthren-2-yl)carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)cc(-c5ccc6c(c5)cc(-c5ccccc5)c5ccccc56)c43)cc21
InChIInChI=1S/C59H40N2/c1-59(2)53-24-12-8-20-45(53)46-31-29-40(36-54(46)59)61-57-27-15-11-23-49(57)52-35-41(60-55-25-13-9-21-47(55)48-22-10-14-26-56(48)60)34-51(58(52)61)38-28-30-42-39(32-38)33-50(37-16-4-3-5-17-37)44-19-7-6-18-43(42)44/h3-36H,1-2H3
InChIKeyJISFMDRZBIGEGI-UHFFFAOYSA-N
MW776.98 g/mol
LogP15.83
Rot. Bonds4

About 3-carbazol-9-yl-9-(9,9-dimethylfluoren-2-yl)-1-(9-phenylphenanthren-2-yl)carbazole

3-carbazol-9-yl-9-(9,9-dimethylfluoren-2-yl)-1-(9-phenylphenanthren-2-yl)carbazole (PubChem CID 145060164) has the molecular formula C59H40N2 and a molecular weight of 776.98 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-(9,9-dimethylfluoren-2-yl)-1-(9-phenylphenanthren-2-yl)carbazole.

Molecular Properties

Compound Name3-carbazol-9-yl-9-(9,9-dimethylfluoren-2-yl)-1-(9-phenylphenanthren-2-yl)carbazole
PubChem CID145060164
Molecular FormulaC59H40N2
Molecular Weight776.98 g/mol
Exact Mass776.32
IUPAC Name3-carbazol-9-yl-9-(9,9-dimethylfluoren-2-yl)-1-(9-phenylphenanthren-2-yl)carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)cc(-c5ccc6c(c5)cc(-c5ccccc5)c5ccccc56)c43)cc21
InChIInChI=1S/C59H40N2/c1-59(2)53-24-12-8-20-45(53)46-31-29-40(36-54(46)59)61-57-27-15-11-23-49(57)52-35-41(60-55-25-13-9-21-47(55)48-22-10-14-26-56(48)60)34-51(58(52)61)38-28-30-42-39(32-38)33-50(37-16-4-3-5-17-37)44-19-7-6-18-43(42)44/h3-36H,1-2H3
InChIKeyJISFMDRZBIGEGI-UHFFFAOYSA-N
XLogP15.83
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500776.98
LogP ≤ 515.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

9-(9,9-dimethylfluoren-2-yl)-3,6-di(phenanthren-9-yl)carbazole
CID 118475067
11-(9,9-dimethylfluoren-2-yl)-12-(2,6-diphenyl-4-pyridinyl)indolo[2,3-a]carbazole
CID 121385351
9-[7-(9,9-dimethylfluoren-2-yl)phenanthren-2-yl]carbazole
CID 118595114
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-(9-naphthalen-2-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-[9-(4-phenylphenyl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole
CID 159796041
6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenanthridine
CID 121337153
2-carbazol-9-yl-9-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole
CID 121274445
3-carbazol-9-yl-9-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 147106335
12-(9,9-dimethylfluoren-2-yl)-11-[4-(4,6-diphenyl-2-pyridinyl)phenyl]indolo[2,3-a]carbazole
CID 121385344
9-(9,9-dimethylfluoren-2-yl)-3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole;9-(9,9-dimethylfluoren-2-yl)-3-[9-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-ylcarbazol-3-yl]-6-naphthalen-2-ylcarbazole
CID 162081661
6-(9,9-dimethylfluoren-2-yl)-2-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-naphthalen-2-yl-2-(9-phenylcarbazol-3-yl)-6-triphenylen-2-ylcarbazole;6-phenanthren-9-yl-2-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 161421085
11-(9,9-dimethylfluoren-2-yl)-5-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzo[a]carbazole
CID 118637348
3-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-9-(6-phenylnaphthalen-2-yl)carbazole;3-[4-[9-(6-phenylnaphthalen-2-yl)carbazol-3-yl]phenyl]-9-(3-phenylphenyl)carbazole
CID 160879378

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-9-(9,9-dimethylfluoren-2-yl)-1-(9-phenylphenanthren-2-yl)carbazole?
The IUPAC name of 3-carbazol-9-yl-9-(9,9-dimethylfluoren-2-yl)-1-(9-phenylphenanthren-2-yl)carbazole (CID 145060164) is 3-carbazol-9-yl-9-(9,9-dimethylfluoren-2-yl)-1-(9-phenylphenanthren-2-yl)carbazole.
What is the SMILES notation for 3-carbazol-9-yl-9-(9,9-dimethylfluoren-2-yl)-1-(9-phenylphenanthren-2-yl)carbazole?
The canonical SMILES for 3-carbazol-9-yl-9-(9,9-dimethylfluoren-2-yl)-1-(9-phenylphenanthren-2-yl)carbazole is CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)cc(-c5ccc6c(c5)cc(-c5ccccc5)c5ccccc56)c43)cc21.
What is the InChIKey of 3-carbazol-9-yl-9-(9,9-dimethylfluoren-2-yl)-1-(9-phenylphenanthren-2-yl)carbazole?
The InChIKey is JISFMDRZBIGEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H40N2/c1-59(2)53-24-12-8-20-45(53)46-31-29-40(36-54(46)59)61-57-27-15-11-23-49(57)52-35-41(60-55-25-13-9-21-47(55)48-22-10-14-26-56(48)60)34-51(58(52)61)38-28-30-42-39(32-38)33-50(37-16-4-3-5-17-37)44-19-7-6-18-43(42)44/h3-36H,1-2H3.
What are the key properties of 3-carbazol-9-yl-9-(9,9-dimethylfluoren-2-yl)-1-(9-phenylphenanthren-2-yl)carbazole?
3-carbazol-9-yl-9-(9,9-dimethylfluoren-2-yl)-1-(9-phenylphenanthren-2-yl)carbazole has a molecular weight of 776.98 g/mol, XLogP of 15.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-9-(9,9-dimethylfluoren-2-yl)-1-(9-phenylphenanthren-2-yl)carbazole is sourced from PubChem (CID 145060164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).