5-N-(4-methylphenyl)-9-N-(6-methyl-3-pyridinyl)-7,7-diphenyl-5-N,9-N-bis(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine

C68H49N3O — CID 156556102

IUPAC5-N-(4-methylphenyl)-9-N-(6-methyl-3-pyridinyl)-7,7-diphenyl-5-N,9-N-bis(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine
SMILESCc1ccc(N(c2ccc(-c3ccccc3)cc2)c2cc3c(c4oc5ccccc5c24)-c2ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(C)nc4)cc2C3(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C68H49N3O/c1-46-27-34-55(35-28-46)71(56-39-32-51(33-40-56)49-19-9-4-10-20-49)63-44-62-65(67-66(63)60-25-15-16-26-64(60)72-67)59-42-41-57(43-61(59)68(62,52-21-11-5-12-22-52)53-23-13-6-14-24-53)70(58-36-29-47(2)69-45-58)54-37-30-50(31-38-54)48-17-7-3-8-18-48/h3-45H,1-2H3
InChIKeyROYYTJAPAIKBBG-UHFFFAOYSA-N
MW924.16 g/mol
LogP18.23
Rot. Bonds10

About 5-N-(4-methylphenyl)-9-N-(6-methyl-3-pyridinyl)-7,7-diphenyl-5-N,9-N-bis(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine

5-N-(4-methylphenyl)-9-N-(6-methyl-3-pyridinyl)-7,7-diphenyl-5-N,9-N-bis(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine (PubChem CID 156556102) has the molecular formula C68H49N3O and a molecular weight of 924.16 g/mol. Its IUPAC name is 5-N-(4-methylphenyl)-9-N-(6-methyl-3-pyridinyl)-7,7-diphenyl-5-N,9-N-bis(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine.

Molecular Properties

Compound Name5-N-(4-methylphenyl)-9-N-(6-methyl-3-pyridinyl)-7,7-diphenyl-5-N,9-N-bis(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine
PubChem CID156556102
Molecular FormulaC68H49N3O
Molecular Weight924.16 g/mol
Exact Mass923.39
IUPAC Name5-N-(4-methylphenyl)-9-N-(6-methyl-3-pyridinyl)-7,7-diphenyl-5-N,9-N-bis(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine
SMILESCc1ccc(N(c2ccc(-c3ccccc3)cc2)c2cc3c(c4oc5ccccc5c24)-c2ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(C)nc4)cc2C3(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C68H49N3O/c1-46-27-34-55(35-28-46)71(56-39-32-51(33-40-56)49-19-9-4-10-20-49)63-44-62-65(67-66(63)60-25-15-16-26-64(60)72-67)59-42-41-57(43-61(59)68(62,52-21-11-5-12-22-52)53-23-13-6-14-24-53)70(58-36-29-47(2)69-45-58)54-37-30-50(31-38-54)48-17-7-3-8-18-48/h3-45H,1-2H3
InChIKeyROYYTJAPAIKBBG-UHFFFAOYSA-N
XLogP18.23
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500924.16
LogP ≤ 518.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-N-(4-methylphenyl)-9-N-(6-methyl-3-pyridinyl)-7,7-diphenyl-5-N,9-N-bis(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine with MolForge

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Related Compounds

5-N,9-N-bis(4-tert-butylphenyl)-7,7-bis(4-methylphenyl)-5-N,9-N-bis(4-trimethylsilylphenyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine
CID 140764938
5-N,9-N-bis(4-tert-butylphenyl)-7,7-diphenyl-5-N,9-N-bis(4-trimethylsilylphenyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine
CID 140775776
7-[4-[bis(4-tert-butylphenyl)-methylsilyl]phenyl]-5-N,9-N,7-tris(4-tert-butylphenyl)-5-N,9-N-diphenylfluoreno[4,3-b][1]benzofuran-5,9-diamine
CID 163567021
N,N-bis(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5'-amine
CID 129130268
N-(2-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118298285
7,7-dimethyl-5-N,9-N-bis(6-methyl-3-pyridinyl)-5-N,9-N-bis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine
CID 139397270
12-N,18-N-bis(4-tert-butylphenyl)-3'-methyl-12-N,18-N-bis(4-naphthalen-2-ylphenyl)spiro[4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-15,9'-indeno[2,1-b]pyridine]-12,18-diamine;5-N,9-N-bis(4-tert-butylphenyl)-3'-methyl-5-N,9-N-bis(4-phenylphenyl)spiro[fluoreno[4,3-b][1]benzofuran-7,9'-indeno[2,1-b]pyridine]-5,9-diamine
CID 158172755
5-N',9-N'-bis(4-tert-butylphenyl)-9-N'-(3,5-dimethylphenyl)-5-N'-(4-methylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine
CID 165053097
5-N',9-N'-bis(6-methyl-3-pyridinyl)-5-N',9-N'-bis(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzothiole]-5',9'-diamine
CID 126632950
N-[4-[4-[bis(7-methyl-9,9-diphenylfluoren-2-yl)amino]phenyl]phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine
CID 177287521
N-(4-tert-butylphenyl)-7,7-bis(4-methylphenyl)-N-(4-trimethylsilylphenyl)fluoreno[4,3-b][1]benzofuran-5-amine
CID 140786782
12-N,18-N-bis(2,5-dimethylphenyl)-12-N,18-N,15,15-tetraphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine
CID 146526608

Frequently Asked Questions

What is the IUPAC name of 5-N-(4-methylphenyl)-9-N-(6-methyl-3-pyridinyl)-7,7-diphenyl-5-N,9-N-bis(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine?
The IUPAC name of 5-N-(4-methylphenyl)-9-N-(6-methyl-3-pyridinyl)-7,7-diphenyl-5-N,9-N-bis(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine (CID 156556102) is 5-N-(4-methylphenyl)-9-N-(6-methyl-3-pyridinyl)-7,7-diphenyl-5-N,9-N-bis(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine.
What is the SMILES notation for 5-N-(4-methylphenyl)-9-N-(6-methyl-3-pyridinyl)-7,7-diphenyl-5-N,9-N-bis(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine?
The canonical SMILES for 5-N-(4-methylphenyl)-9-N-(6-methyl-3-pyridinyl)-7,7-diphenyl-5-N,9-N-bis(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine is Cc1ccc(N(c2ccc(-c3ccccc3)cc2)c2cc3c(c4oc5ccccc5c24)-c2ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(C)nc4)cc2C3(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 5-N-(4-methylphenyl)-9-N-(6-methyl-3-pyridinyl)-7,7-diphenyl-5-N,9-N-bis(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine?
The InChIKey is ROYYTJAPAIKBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H49N3O/c1-46-27-34-55(35-28-46)71(56-39-32-51(33-40-56)49-19-9-4-10-20-49)63-44-62-65(67-66(63)60-25-15-16-26-64(60)72-67)59-42-41-57(43-61(59)68(62,52-21-11-5-12-22-52)53-23-13-6-14-24-53)70(58-36-29-47(2)69-45-58)54-37-30-50(31-38-54)48-17-7-3-8-18-48/h3-45H,1-2H3.
What are the key properties of 5-N-(4-methylphenyl)-9-N-(6-methyl-3-pyridinyl)-7,7-diphenyl-5-N,9-N-bis(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine?
5-N-(4-methylphenyl)-9-N-(6-methyl-3-pyridinyl)-7,7-diphenyl-5-N,9-N-bis(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine has a molecular weight of 924.16 g/mol, XLogP of 18.23, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(4-methylphenyl)-9-N-(6-methyl-3-pyridinyl)-7,7-diphenyl-5-N,9-N-bis(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine is sourced from PubChem (CID 156556102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).