9-(9,9-dimethylfluoren-2-yl)-2-triphenylen-2-ylcarbazole

C45H31N — CID 118919712

IUPAC9-(9,9-dimethylfluoren-2-yl)-2-triphenylen-2-ylcarbazole
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc43)cc21
InChIInChI=1S/C45H31N/c1-45(2)41-17-9-7-15-36(41)37-24-21-30(27-42(37)45)46-43-18-10-8-16-38(43)39-23-20-29(26-44(39)46)28-19-22-35-33-13-4-3-11-31(33)32-12-5-6-14-34(32)40(35)25-28/h3-27H,1-2H3
InChIKeyRIZGWSVWKCDPBR-UHFFFAOYSA-N
MW585.75 g/mol
LogP12.22
Rot. Bonds2

About 9-(9,9-dimethylfluoren-2-yl)-2-triphenylen-2-ylcarbazole

9-(9,9-dimethylfluoren-2-yl)-2-triphenylen-2-ylcarbazole (PubChem CID 118919712) has the molecular formula C45H31N and a molecular weight of 585.75 g/mol. Its IUPAC name is 9-(9,9-dimethylfluoren-2-yl)-2-triphenylen-2-ylcarbazole.

Molecular Properties

Compound Name9-(9,9-dimethylfluoren-2-yl)-2-triphenylen-2-ylcarbazole
PubChem CID118919712
Molecular FormulaC45H31N
Molecular Weight585.75 g/mol
Exact Mass585.25
IUPAC Name9-(9,9-dimethylfluoren-2-yl)-2-triphenylen-2-ylcarbazole
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc43)cc21
InChIInChI=1S/C45H31N/c1-45(2)41-17-9-7-15-36(41)37-24-21-30(27-42(37)45)46-43-18-10-8-16-38(43)39-23-20-29(26-44(39)46)28-19-22-35-33-13-4-3-11-31(33)32-12-5-6-14-34(32)40(35)25-28/h3-27H,1-2H3
InChIKeyRIZGWSVWKCDPBR-UHFFFAOYSA-N
XLogP12.22
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.75
LogP ≤ 512.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-(3-triphenylen-2-ylphenyl)carbazole
CID 118919744
2-carbazol-9-yl-9-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole
CID 121274445
9-[7-(9,9-dimethylfluoren-2-yl)phenanthren-2-yl]carbazole
CID 118595114
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
4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 122537506
N-(9,9-dimethylfluoren-2-yl)-N-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]phenyl]-9,9-dimethylfluoren-2-amine
CID 177287627
2-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9-naphthalen-2-ylcarbazole
CID 129312240
11,11-dimethyl-5-triphenylen-2-ylindeno[1,2-b]carbazole
CID 118488496
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
9-[7-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]carbazole
CID 58676147
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
5-(9,9-dimethylfluoren-2-yl)-7-[3-(4-phenylphenyl)phenyl]indolo[2,3-b]carbazole
CID 122595609

Frequently Asked Questions

What is the IUPAC name of 9-(9,9-dimethylfluoren-2-yl)-2-triphenylen-2-ylcarbazole?
The IUPAC name of 9-(9,9-dimethylfluoren-2-yl)-2-triphenylen-2-ylcarbazole (CID 118919712) is 9-(9,9-dimethylfluoren-2-yl)-2-triphenylen-2-ylcarbazole.
What is the SMILES notation for 9-(9,9-dimethylfluoren-2-yl)-2-triphenylen-2-ylcarbazole?
The canonical SMILES for 9-(9,9-dimethylfluoren-2-yl)-2-triphenylen-2-ylcarbazole is CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc43)cc21.
What is the InChIKey of 9-(9,9-dimethylfluoren-2-yl)-2-triphenylen-2-ylcarbazole?
The InChIKey is RIZGWSVWKCDPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H31N/c1-45(2)41-17-9-7-15-36(41)37-24-21-30(27-42(37)45)46-43-18-10-8-16-38(43)39-23-20-29(26-44(39)46)28-19-22-35-33-13-4-3-11-31(33)32-12-5-6-14-34(32)40(35)25-28/h3-27H,1-2H3.
What are the key properties of 9-(9,9-dimethylfluoren-2-yl)-2-triphenylen-2-ylcarbazole?
9-(9,9-dimethylfluoren-2-yl)-2-triphenylen-2-ylcarbazole has a molecular weight of 585.75 g/mol, XLogP of 12.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9,9-dimethylfluoren-2-yl)-2-triphenylen-2-ylcarbazole is sourced from PubChem (CID 118919712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).