3-methyl-9-naphthalen-2-ylcarbazole;3-methyl-9-phenylcarbazole;4'-methyl-9,9'-spirobi[fluorene]

C68H50N2 — CID 145345825

IUPAC3-methyl-9-naphthalen-2-ylcarbazole;3-methyl-9-phenylcarbazole;4'-methyl-9,9'-spirobi[fluorene]
SMILESCc1ccc2c(c1)c1ccccc1n2-c1ccc2ccccc2c1.Cc1ccc2c(c1)c1ccccc1n2-c1ccccc1.Cc1cccc2c1-c1ccccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C26H18.C23H17N.C19H15N/c1-17-9-8-16-24-25(17)20-12-4-7-15-23(20)26(24)21-13-5-2-10-18(21)19-11-3-6-14-22(19)26;1-16-10-13-23-21(14-16)20-8-4-5-9-22(20)24(23)19-12-11-17-6-2-3-7-18(17)15-19;1-14-11-12-19-17(13-14)16-9-5-6-10-18(16)20(19)15-7-3-2-4-8-15/h2-16H,1H3;2-15H,1H3;2-13H,1H3
InChIKeyNMQWCVOGORTJFU-UHFFFAOYSA-N
MW895.16 g/mol
LogP17.68
Rot. Bonds2

About 3-methyl-9-naphthalen-2-ylcarbazole;3-methyl-9-phenylcarbazole;4'-methyl-9,9'-spirobi[fluorene]

3-methyl-9-naphthalen-2-ylcarbazole;3-methyl-9-phenylcarbazole;4'-methyl-9,9'-spirobi[fluorene] (PubChem CID 145345825) has the molecular formula C68H50N2 and a molecular weight of 895.16 g/mol. Its IUPAC name is 3-methyl-9-naphthalen-2-ylcarbazole;3-methyl-9-phenylcarbazole;4'-methyl-9,9'-spirobi[fluorene].

Molecular Properties

Compound Name3-methyl-9-naphthalen-2-ylcarbazole;3-methyl-9-phenylcarbazole;4'-methyl-9,9'-spirobi[fluorene]
PubChem CID145345825
Molecular FormulaC68H50N2
Molecular Weight895.16 g/mol
Exact Mass894.40
IUPAC Name3-methyl-9-naphthalen-2-ylcarbazole;3-methyl-9-phenylcarbazole;4'-methyl-9,9'-spirobi[fluorene]
SMILESCc1ccc2c(c1)c1ccccc1n2-c1ccc2ccccc2c1.Cc1ccc2c(c1)c1ccccc1n2-c1ccccc1.Cc1cccc2c1-c1ccccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C26H18.C23H17N.C19H15N/c1-17-9-8-16-24-25(17)20-12-4-7-15-23(20)26(24)21-13-5-2-10-18(21)19-11-3-6-14-22(19)26;1-16-10-13-23-21(14-16)20-8-4-5-9-22(20)24(23)19-12-11-17-6-2-3-7-18(17)15-19;1-14-11-12-19-17(13-14)16-9-5-6-10-18(16)20(19)15-7-3-2-4-8-15/h2-16H,1H3;2-15H,1H3;2-13H,1H3
InChIKeyNMQWCVOGORTJFU-UHFFFAOYSA-N
XLogP17.68
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500895.16
LogP ≤ 517.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-methyl-9-naphthalen-2-ylcarbazole;3-methyl-9-phenylcarbazole;4'-methyl-9,9'-spirobi[fluorene] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 134551673
CID 134551673
2-methyl-9,9-diphenylfluorene;4-methyl-9,9-diphenylfluorene;3-methyl-5,11-diphenylindolo[3,2-b]carbazole;2-methyl-9-(4-methylphenyl)-9-phenylfluorene;2-methyl-9,9'-spirobi[fluorene];3-methyl-9,9'-spirobi[fluorene];4'-methyl-9,9'-spirobi[fluorene]
CID 157438705
3-(9-methyldibenzofuran-2-yl)-9-phenylcarbazole;1-methyl-4-phenylbenzene;4'-methyl-9,9'-spirobi[fluorene]
CID 145360960
9-naphthalen-2-yl-3-[(E)-2-[7'-[(E)-2-(9-naphthalen-2-ylcarbazol-3-yl)ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]carbazole
CID 59236373
9-naphthalen-2-yl-3-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]carbazole
CID 130397941
3'-methyl-12'-phenylspiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 90253720
9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[10-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9,9'-spirobi[fluorene]-4'-yl]triphenylen-2-yl]carbazole
CID 134440451
6-(4-benzo[b]carbazol-5-ylphenyl)spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene-18,9'-fluorene]
CID 167126460
7-phenyl-5-(9,9'-spirobi[fluorene]-2-yl)indolo[2,3-b]carbazole
CID 122595613
CID 163750007
CID 163750007
9-phenyl-3-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylcarbazole
CID 129264521
5'-[9-(4-methylphenyl)carbazol-3-yl]spiro[fluorene-9,11'-indeno[1,2-b]carbazole]
CID 167052788

Frequently Asked Questions

What is the IUPAC name of 3-methyl-9-naphthalen-2-ylcarbazole;3-methyl-9-phenylcarbazole;4'-methyl-9,9'-spirobi[fluorene]?
The IUPAC name of 3-methyl-9-naphthalen-2-ylcarbazole;3-methyl-9-phenylcarbazole;4'-methyl-9,9'-spirobi[fluorene] (CID 145345825) is 3-methyl-9-naphthalen-2-ylcarbazole;3-methyl-9-phenylcarbazole;4'-methyl-9,9'-spirobi[fluorene].
What is the SMILES notation for 3-methyl-9-naphthalen-2-ylcarbazole;3-methyl-9-phenylcarbazole;4'-methyl-9,9'-spirobi[fluorene]?
The canonical SMILES for 3-methyl-9-naphthalen-2-ylcarbazole;3-methyl-9-phenylcarbazole;4'-methyl-9,9'-spirobi[fluorene] is Cc1ccc2c(c1)c1ccccc1n2-c1ccc2ccccc2c1.Cc1ccc2c(c1)c1ccccc1n2-c1ccccc1.Cc1cccc2c1-c1ccccc1C21c2ccccc2-c2ccccc21.
What is the InChIKey of 3-methyl-9-naphthalen-2-ylcarbazole;3-methyl-9-phenylcarbazole;4'-methyl-9,9'-spirobi[fluorene]?
The InChIKey is NMQWCVOGORTJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18.C23H17N.C19H15N/c1-17-9-8-16-24-25(17)20-12-4-7-15-23(20)26(24)21-13-5-2-10-18(21)19-11-3-6-14-22(19)26;1-16-10-13-23-21(14-16)20-8-4-5-9-22(20)24(23)19-12-11-17-6-2-3-7-18(17)15-19;1-14-11-12-19-17(13-14)16-9-5-6-10-18(16)20(19)15-7-3-2-4-8-15/h2-16H,1H3;2-15H,1H3;2-13H,1H3.
What are the key properties of 3-methyl-9-naphthalen-2-ylcarbazole;3-methyl-9-phenylcarbazole;4'-methyl-9,9'-spirobi[fluorene]?
3-methyl-9-naphthalen-2-ylcarbazole;3-methyl-9-phenylcarbazole;4'-methyl-9,9'-spirobi[fluorene] has a molecular weight of 895.16 g/mol, XLogP of 17.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-9-naphthalen-2-ylcarbazole;3-methyl-9-phenylcarbazole;4'-methyl-9,9'-spirobi[fluorene] is sourced from PubChem (CID 145345825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).