5-[2-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-3,4-dihydroindeno[1,2-b]pyrazin-3-yl]benzo[b]carbazole

C44H35N3 — CID 146185210

IUPAC5-[2-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-3,4-dihydroindeno[1,2-b]pyrazin-3-yl]benzo[b]carbazole
SMILESCC1(C)C2=C(NC(n3c4ccccc4c4cc5ccccc5cc43)C(c3ccc4c(c3)-c3ccccc3C4(C)C)=N2)c2ccccc21
InChIInChI=1S/C44H35N3/c1-43(2)34-18-10-7-15-29(34)32-24-28(21-22-36(32)43)39-42(46-40-31-17-8-11-19-35(31)44(3,4)41(40)45-39)47-37-20-12-9-16-30(37)33-23-26-13-5-6-14-27(26)25-38(33)47/h5-25,42,46H,1-4H3
InChIKeyVIHBOYPSUAEATA-UHFFFAOYSA-N
MW605.79 g/mol
LogP10.51
Rot. Bonds2

About 5-[2-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-3,4-dihydroindeno[1,2-b]pyrazin-3-yl]benzo[b]carbazole

5-[2-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-3,4-dihydroindeno[1,2-b]pyrazin-3-yl]benzo[b]carbazole (PubChem CID 146185210) has the molecular formula C44H35N3 and a molecular weight of 605.79 g/mol. Its IUPAC name is 5-[2-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-3,4-dihydroindeno[1,2-b]pyrazin-3-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[2-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-3,4-dihydroindeno[1,2-b]pyrazin-3-yl]benzo[b]carbazole
PubChem CID146185210
Molecular FormulaC44H35N3
Molecular Weight605.79 g/mol
Exact Mass605.28
IUPAC Name5-[2-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-3,4-dihydroindeno[1,2-b]pyrazin-3-yl]benzo[b]carbazole
SMILESCC1(C)C2=C(NC(n3c4ccccc4c4cc5ccccc5cc43)C(c3ccc4c(c3)-c3ccccc3C4(C)C)=N2)c2ccccc21
InChIInChI=1S/C44H35N3/c1-43(2)34-18-10-7-15-29(34)32-24-28(21-22-36(32)43)39-42(46-40-31-17-8-11-19-35(31)44(3,4)41(40)45-39)47-37-20-12-9-16-30(37)33-23-26-13-5-6-14-27(26)25-38(33)47/h5-25,42,46H,1-4H3
InChIKeyVIHBOYPSUAEATA-UHFFFAOYSA-N
XLogP10.51
TPSA29.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.79
LogP ≤ 510.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-3,4-dihydroindeno[1,2-b]pyrazin-3-yl]benzo[b]carbazole
CID 166945452
5-[2-(9,9-dimethylfluoren-3-yl)quinazolin-4-yl]benzo[b]carbazole
CID 139361545
12-(9,9-dimethylfluoren-3-yl)-22-phenyl-12,22-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene
CID 118502094
11,11-dimethyl-5-[3-(6-methylcyclohexa-1,3-dien-1-yl)-1,2-dihydroquinoxalin-2-yl]indeno[1,2-b]carbazole
CID 144943011
2-(9,9-dimethylfluoren-3-yl)-9-(1-methyl-4-phenyl-2H-quinazolin-2-yl)carbazole
CID 163925777
3-(9,9-dimethylfluoren-3-yl)-9-[4-[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]-6-[4-[4-[4-[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 126632340
21-(9,9-dimethylfluoren-3-yl)-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13,15,17,19(23),20-undecaene
CID 126577808
12-[2-(9,9-dimethylfluoren-3-yl)-5,5-dimethylindeno[1,2-d]pyrimidin-4-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 146392053
N-(9,9-dimethylfluoren-2-yl)-9-[2-[3-(N-(9,9-dimethylfluoren-3-yl)-4-phenylanilino)carbazol-9-yl]cyclohexyl]-N-phenylcarbazol-3-amine
CID 163700429
4-[4-[2,7-di(carbazol-9-yl)carbazol-9-yl]phenyl]-2-(9,9-dimethylfluoren-3-yl)-3,4-dihydrobenzo[h]quinazoline
CID 144780414
5-[4-(11,11-dimethylbenzo[b]fluoren-6-yl)quinazolin-2-yl]benzo[b]carbazole
CID 139361885
9-[2-[4-(9,9-dimethylfluoren-3-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 171724613

Frequently Asked Questions

What is the IUPAC name of 5-[2-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-3,4-dihydroindeno[1,2-b]pyrazin-3-yl]benzo[b]carbazole?
The IUPAC name of 5-[2-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-3,4-dihydroindeno[1,2-b]pyrazin-3-yl]benzo[b]carbazole (CID 146185210) is 5-[2-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-3,4-dihydroindeno[1,2-b]pyrazin-3-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[2-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-3,4-dihydroindeno[1,2-b]pyrazin-3-yl]benzo[b]carbazole?
The canonical SMILES for 5-[2-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-3,4-dihydroindeno[1,2-b]pyrazin-3-yl]benzo[b]carbazole is CC1(C)C2=C(NC(n3c4ccccc4c4cc5ccccc5cc43)C(c3ccc4c(c3)-c3ccccc3C4(C)C)=N2)c2ccccc21.
What is the InChIKey of 5-[2-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-3,4-dihydroindeno[1,2-b]pyrazin-3-yl]benzo[b]carbazole?
The InChIKey is VIHBOYPSUAEATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H35N3/c1-43(2)34-18-10-7-15-29(34)32-24-28(21-22-36(32)43)39-42(46-40-31-17-8-11-19-35(31)44(3,4)41(40)45-39)47-37-20-12-9-16-30(37)33-23-26-13-5-6-14-27(26)25-38(33)47/h5-25,42,46H,1-4H3.
What are the key properties of 5-[2-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-3,4-dihydroindeno[1,2-b]pyrazin-3-yl]benzo[b]carbazole?
5-[2-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-3,4-dihydroindeno[1,2-b]pyrazin-3-yl]benzo[b]carbazole has a molecular weight of 605.79 g/mol, XLogP of 10.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-3,4-dihydroindeno[1,2-b]pyrazin-3-yl]benzo[b]carbazole is sourced from PubChem (CID 146185210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).