14-[4-[3-(9-phenylcarbazol-3-yl)-9H-fluoren-9-yl]phenyl]-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene

C51H31N3O — CID 137456946

IUPAC14-[4-[3-(9-phenylcarbazol-3-yl)-9H-fluoren-9-yl]phenyl]-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)-c4ccccc4C5c4ccc(-c5cnc6c(n5)oc5ccc7ccccc7c56)cc4)ccc32)cc1
InChIInChI=1S/C51H31N3O/c1-2-11-36(12-3-1)54-45-17-9-8-15-39(45)43-29-35(23-26-46(43)54)34-22-25-41-42(28-34)38-14-6-7-16-40(38)48(41)33-20-18-32(19-21-33)44-30-52-50-49-37-13-5-4-10-31(37)24-27-47(49)55-51(50)53-44/h1-30,48H
InChIKeyIGOAWXKGUXVOTG-UHFFFAOYSA-N
MW701.83 g/mol
LogP13.12
Rot. Bonds4

About 14-[4-[3-(9-phenylcarbazol-3-yl)-9H-fluoren-9-yl]phenyl]-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene

14-[4-[3-(9-phenylcarbazol-3-yl)-9H-fluoren-9-yl]phenyl]-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene (PubChem CID 137456946) has the molecular formula C51H31N3O and a molecular weight of 701.83 g/mol. Its IUPAC name is 14-[4-[3-(9-phenylcarbazol-3-yl)-9H-fluoren-9-yl]phenyl]-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene.

Molecular Properties

Compound Name14-[4-[3-(9-phenylcarbazol-3-yl)-9H-fluoren-9-yl]phenyl]-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene
PubChem CID137456946
Molecular FormulaC51H31N3O
Molecular Weight701.83 g/mol
Exact Mass701.25
IUPAC Name14-[4-[3-(9-phenylcarbazol-3-yl)-9H-fluoren-9-yl]phenyl]-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)-c4ccccc4C5c4ccc(-c5cnc6c(n5)oc5ccc7ccccc7c56)cc4)ccc32)cc1
InChIInChI=1S/C51H31N3O/c1-2-11-36(12-3-1)54-45-17-9-8-15-39(45)43-29-35(23-26-46(43)54)34-22-25-41-42(28-34)38-14-6-7-16-40(38)48(41)33-20-18-32(19-21-33)44-30-52-50-49-37-13-5-4-10-31(37)24-27-47(49)55-51(50)53-44/h1-30,48H
InChIKeyIGOAWXKGUXVOTG-UHFFFAOYSA-N
XLogP13.12
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500701.83
LogP ≤ 513.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 14-[4-[3-(9-phenylcarbazol-3-yl)-9H-fluoren-9-yl]phenyl]-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene with MolForge

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Related Compounds

14-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene
CID 137442487
9-phenyl-3-[9-[4-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-6-(9-phenyl-9H-fluoren-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole
CID 167377397
9-phenyl-3-[3-(9-phenylcarbazol-3-yl)-9H-fluoren-9-yl]carbazole
CID 118423662
14-[9-(9-phenylcarbazol-2-yl)dibenzothiophen-1-yl]-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene
CID 168826445
3-[4-[(9R)-3-(3-carbazol-9-ylphenyl)-9H-fluoren-9-yl]phenyl]-9-(4-phenylphenyl)carbazole
CID 170074676
1-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-[4-[3-(9-phenylcarbazol-3-yl)-6-(9-phenyl-9H-fluoren-3-yl)carbazol-9-yl]phenyl]benzo[f]quinazoline
CID 126632834
3-[9-(3-dibenzofuran-2-ylphenyl)-9H-fluoren-3-yl]-9-phenylcarbazole
CID 126753873
5-[4-(9H-fluoren-9-yl)phenyl]-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 166002881
3-(9-phenyl-9H-fluoren-3-yl)-9-(4-phenylphenyl)carbazole
CID 170253658
3-dibenzofuran-2-yl-6-[3-(6-dibenzofuran-2-yl-9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole;3-dibenzofuran-2-yl-9-phenylcarbazole;3,6-di(dibenzofuran-2-yl)-9-phenylcarbazole;3-[8-(9H-fluoren-9-yl)dibenzofuran-2-yl]-9-phenylcarbazole;9-phenyl-3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
CID 161108968
14-[3-(3-benzo[a]carbazol-11-ylphenyl)phenyl]-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene
CID 137456617
3-(9-dibenzofuran-2-yl-9H-fluoren-3-yl)-9-(3-dibenzofuran-2-ylphenyl)carbazole
CID 163643866

Frequently Asked Questions

What is the IUPAC name of 14-[4-[3-(9-phenylcarbazol-3-yl)-9H-fluoren-9-yl]phenyl]-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene?
The IUPAC name of 14-[4-[3-(9-phenylcarbazol-3-yl)-9H-fluoren-9-yl]phenyl]-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene (CID 137456946) is 14-[4-[3-(9-phenylcarbazol-3-yl)-9H-fluoren-9-yl]phenyl]-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene.
What is the SMILES notation for 14-[4-[3-(9-phenylcarbazol-3-yl)-9H-fluoren-9-yl]phenyl]-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene?
The canonical SMILES for 14-[4-[3-(9-phenylcarbazol-3-yl)-9H-fluoren-9-yl]phenyl]-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)-c4ccccc4C5c4ccc(-c5cnc6c(n5)oc5ccc7ccccc7c56)cc4)ccc32)cc1.
What is the InChIKey of 14-[4-[3-(9-phenylcarbazol-3-yl)-9H-fluoren-9-yl]phenyl]-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene?
The InChIKey is IGOAWXKGUXVOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N3O/c1-2-11-36(12-3-1)54-45-17-9-8-15-39(45)43-29-35(23-26-46(43)54)34-22-25-41-42(28-34)38-14-6-7-16-40(38)48(41)33-20-18-32(19-21-33)44-30-52-50-49-37-13-5-4-10-31(37)24-27-47(49)55-51(50)53-44/h1-30,48H.
What are the key properties of 14-[4-[3-(9-phenylcarbazol-3-yl)-9H-fluoren-9-yl]phenyl]-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene?
14-[4-[3-(9-phenylcarbazol-3-yl)-9H-fluoren-9-yl]phenyl]-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene has a molecular weight of 701.83 g/mol, XLogP of 13.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14-[4-[3-(9-phenylcarbazol-3-yl)-9H-fluoren-9-yl]phenyl]-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene is sourced from PubChem (CID 137456946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).