5-(9,9-dimethylfluoren-2-yl)-8-(9,10-diphenylanthracen-2-yl)-1,2-dihydropyrido[4,3-b]indole

C52H38N2 — CID 129084148

IUPAC5-(9,9-dimethylfluoren-2-yl)-8-(9,10-diphenylanthracen-2-yl)-1,2-dihydropyrido[4,3-b]indole
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4c(c5cc(-c6ccc7c(-c8ccccc8)c8ccccc8c(-c8ccccc8)c7c6)ccc53)CNC=C4)cc21
InChIInChI=1S/C52H38N2/c1-52(2)46-20-12-11-17-38(46)39-25-23-37(31-47(39)52)54-48-26-22-36(29-43(48)45-32-53-28-27-49(45)54)35-21-24-42-44(30-35)51(34-15-7-4-8-16-34)41-19-10-9-18-40(41)50(42)33-13-5-3-6-14-33/h3-31,53H,32H2,1-2H3
InChIKeyJDTCQVNGHNZYPG-UHFFFAOYSA-N
MW690.89 g/mol
LogP13.32
Rot. Bonds4

About 5-(9,9-dimethylfluoren-2-yl)-8-(9,10-diphenylanthracen-2-yl)-1,2-dihydropyrido[4,3-b]indole

5-(9,9-dimethylfluoren-2-yl)-8-(9,10-diphenylanthracen-2-yl)-1,2-dihydropyrido[4,3-b]indole (PubChem CID 129084148) has the molecular formula C52H38N2 and a molecular weight of 690.89 g/mol. Its IUPAC name is 5-(9,9-dimethylfluoren-2-yl)-8-(9,10-diphenylanthracen-2-yl)-1,2-dihydropyrido[4,3-b]indole.

Molecular Properties

Compound Name5-(9,9-dimethylfluoren-2-yl)-8-(9,10-diphenylanthracen-2-yl)-1,2-dihydropyrido[4,3-b]indole
PubChem CID129084148
Molecular FormulaC52H38N2
Molecular Weight690.89 g/mol
Exact Mass690.30
IUPAC Name5-(9,9-dimethylfluoren-2-yl)-8-(9,10-diphenylanthracen-2-yl)-1,2-dihydropyrido[4,3-b]indole
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4c(c5cc(-c6ccc7c(-c8ccccc8)c8ccccc8c(-c8ccccc8)c7c6)ccc53)CNC=C4)cc21
InChIInChI=1S/C52H38N2/c1-52(2)46-20-12-11-17-38(46)39-25-23-37(31-47(39)52)54-48-26-22-36(29-43(48)45-32-53-28-27-49(45)54)35-21-24-42-44(30-35)51(34-15-7-4-8-16-34)41-19-10-9-18-40(41)50(42)33-13-5-3-6-14-33/h3-31,53H,32H2,1-2H3
InChIKeyJDTCQVNGHNZYPG-UHFFFAOYSA-N
XLogP13.32
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.89
LogP ≤ 513.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 59306698
9-[6-carbazol-9-yl-9-(9,9-dimethylfluoren-2-yl)-10-[3-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-2-yl]carbazole
CID 59220162
9-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]carbazole
CID 59195147
9-[7-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]carbazole
CID 58676147
10-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-9-phenylanthracene
CID 58323304
9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 59195124
9,10-bis(9,9-dimethylfluoren-2-yl)-2-[4-(10-phenyl-1,4-dihydroanthracen-9-yl)phenyl]anthracene
CID 153275967
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 163801693
9-(9,9-dimethylfluoren-2-yl)-2-phenyl-10-[3-(4-phenylphenyl)phenyl]anthracene
CID 59194700
9-(9,9-dimethyl-7-phenylfluoren-2-yl)-3,6-diphenylcarbazole
CID 118475086
9,10-bis(4-phenylphenyl)-2-[10-(4-phenylphenyl)anthracen-9-yl]anthracene;2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,10-bis(4-phenylphenyl)anthracene;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9,10-bis(4-phenylphenyl)anthracene
CID 159520005
7,7-dimethyl-5-phenyl-2-(10-phenylanthracen-9-yl)indeno[2,1-b]carbazole
CID 144609405

Frequently Asked Questions

What is the IUPAC name of 5-(9,9-dimethylfluoren-2-yl)-8-(9,10-diphenylanthracen-2-yl)-1,2-dihydropyrido[4,3-b]indole?
The IUPAC name of 5-(9,9-dimethylfluoren-2-yl)-8-(9,10-diphenylanthracen-2-yl)-1,2-dihydropyrido[4,3-b]indole (CID 129084148) is 5-(9,9-dimethylfluoren-2-yl)-8-(9,10-diphenylanthracen-2-yl)-1,2-dihydropyrido[4,3-b]indole.
What is the SMILES notation for 5-(9,9-dimethylfluoren-2-yl)-8-(9,10-diphenylanthracen-2-yl)-1,2-dihydropyrido[4,3-b]indole?
The canonical SMILES for 5-(9,9-dimethylfluoren-2-yl)-8-(9,10-diphenylanthracen-2-yl)-1,2-dihydropyrido[4,3-b]indole is CC1(C)c2ccccc2-c2ccc(-n3c4c(c5cc(-c6ccc7c(-c8ccccc8)c8ccccc8c(-c8ccccc8)c7c6)ccc53)CNC=C4)cc21.
What is the InChIKey of 5-(9,9-dimethylfluoren-2-yl)-8-(9,10-diphenylanthracen-2-yl)-1,2-dihydropyrido[4,3-b]indole?
The InChIKey is JDTCQVNGHNZYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H38N2/c1-52(2)46-20-12-11-17-38(46)39-25-23-37(31-47(39)52)54-48-26-22-36(29-43(48)45-32-53-28-27-49(45)54)35-21-24-42-44(30-35)51(34-15-7-4-8-16-34)41-19-10-9-18-40(41)50(42)33-13-5-3-6-14-33/h3-31,53H,32H2,1-2H3.
What are the key properties of 5-(9,9-dimethylfluoren-2-yl)-8-(9,10-diphenylanthracen-2-yl)-1,2-dihydropyrido[4,3-b]indole?
5-(9,9-dimethylfluoren-2-yl)-8-(9,10-diphenylanthracen-2-yl)-1,2-dihydropyrido[4,3-b]indole has a molecular weight of 690.89 g/mol, XLogP of 13.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9,9-dimethylfluoren-2-yl)-8-(9,10-diphenylanthracen-2-yl)-1,2-dihydropyrido[4,3-b]indole is sourced from PubChem (CID 129084148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).