3-[9-[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-3-yl)phenyl]fluoren-9-yl]-9-phenylcarbazole

C43H31N5 — CID 156666908

IUPAC3-[9-[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-3-yl)phenyl]fluoren-9-yl]-9-phenylcarbazole
SMILESCN1CN(c2cccc(C3(c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4ccccc4-c4ccccc43)c2)c2nccnc21
InChIInChI=1S/C43H31N5/c1-46-28-47(42-41(46)44-24-25-45-42)32-15-11-12-29(26-32)43(37-19-8-5-16-33(37)34-17-6-9-20-38(34)43)30-22-23-40-36(27-30)35-18-7-10-21-39(35)48(40)31-13-3-2-4-14-31/h2-27H,28H2,1H3
InChIKeyVLNKMDUOBZPRAS-UHFFFAOYSA-N
MW617.76 g/mol
LogP9.48
Rot. Bonds4

About 3-[9-[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-3-yl)phenyl]fluoren-9-yl]-9-phenylcarbazole

3-[9-[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-3-yl)phenyl]fluoren-9-yl]-9-phenylcarbazole (PubChem CID 156666908) has the molecular formula C43H31N5 and a molecular weight of 617.76 g/mol. Its IUPAC name is 3-[9-[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-3-yl)phenyl]fluoren-9-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[9-[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-3-yl)phenyl]fluoren-9-yl]-9-phenylcarbazole
PubChem CID156666908
Molecular FormulaC43H31N5
Molecular Weight617.76 g/mol
Exact Mass617.26
IUPAC Name3-[9-[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-3-yl)phenyl]fluoren-9-yl]-9-phenylcarbazole
SMILESCN1CN(c2cccc(C3(c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4ccccc4-c4ccccc43)c2)c2nccnc21
InChIInChI=1S/C43H31N5/c1-46-28-47(42-41(46)44-24-25-45-42)32-15-11-12-29(26-32)43(37-19-8-5-16-33(37)34-17-6-9-20-38(34)43)30-22-23-40-36(27-30)35-18-7-10-21-39(35)48(40)31-13-3-2-4-14-31/h2-27H,28H2,1H3
InChIKeyVLNKMDUOBZPRAS-UHFFFAOYSA-N
XLogP9.48
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.76
LogP ≤ 59.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methane;9-[3-(9-phenylfluoren-9-yl)phenyl]carbazole
CID 158348177
9-phenyl-3-(9-phenylfluoren-9-yl)-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 121311550
9-phenyl-6-(9-phenylcarbazol-3-yl)-2-(9-phenylfluoren-9-yl)carbazole
CID 118145084
3-carbazol-9-yl-9-(9-phenylcarbazol-4-yl)-6-(9-phenylfluoren-9-yl)carbazole
CID 167052712
3-(9-phenylcarbazol-1-yl)-6-(9-phenylfluoren-9-yl)-9-(3-phenylphenyl)carbazole
CID 121311539
3-(9-phenylcarbazol-3-yl)-9-[4-[4-[3-[9-[4-(2-phenylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]phenyl]carbazole
CID 154590784
9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-2-[9-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]fluoren-9-yl]carbazole
CID 167401969
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[3-[4-[4-[3-[9-[3-(4-phenylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590364
3-[2,7-dibromo-9-(9-phenylcarbazol-3-yl)fluoren-9-yl]-9-phenylcarbazole
CID 102125302
2-[9-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]fluoren-9-yl]-9-[4-(trideuteriomethyl)-2-pyridinyl]carbazole
CID 167401631
9-[4-tert-butyl-6-[9-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]fluoren-9-yl]-2-pyridinyl]carbazole
CID 155614495
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-[4-[4-[3-[9-[4-(3-phenylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590519

Frequently Asked Questions

What is the IUPAC name of 3-[9-[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-3-yl)phenyl]fluoren-9-yl]-9-phenylcarbazole?
The IUPAC name of 3-[9-[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-3-yl)phenyl]fluoren-9-yl]-9-phenylcarbazole (CID 156666908) is 3-[9-[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-3-yl)phenyl]fluoren-9-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[9-[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-3-yl)phenyl]fluoren-9-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[9-[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-3-yl)phenyl]fluoren-9-yl]-9-phenylcarbazole is CN1CN(c2cccc(C3(c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4ccccc4-c4ccccc43)c2)c2nccnc21.
What is the InChIKey of 3-[9-[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-3-yl)phenyl]fluoren-9-yl]-9-phenylcarbazole?
The InChIKey is VLNKMDUOBZPRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H31N5/c1-46-28-47(42-41(46)44-24-25-45-42)32-15-11-12-29(26-32)43(37-19-8-5-16-33(37)34-17-6-9-20-38(34)43)30-22-23-40-36(27-30)35-18-7-10-21-39(35)48(40)31-13-3-2-4-14-31/h2-27H,28H2,1H3.
What are the key properties of 3-[9-[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-3-yl)phenyl]fluoren-9-yl]-9-phenylcarbazole?
3-[9-[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-3-yl)phenyl]fluoren-9-yl]-9-phenylcarbazole has a molecular weight of 617.76 g/mol, XLogP of 9.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-3-yl)phenyl]fluoren-9-yl]-9-phenylcarbazole is sourced from PubChem (CID 156666908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).