9-dibenzofuran-3-yl-N,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-(9-dibenzofuran-2-yl-9-phenylfluoren-2-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine;9-dibenzofuran-3-yl-N,N,9-triphenylfluoren-2-amine

C147H97N3O3S — CID 157052053

IUPAC9-dibenzofuran-3-yl-N,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-(9-dibenzofuran-2-yl-9-phenylfluoren-2-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine;9-dibenzofuran-3-yl-N,N,9-triphenylfluoren-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccc5oc6ccccc6c5c3)c3ccccc3-4)c3ccc4c(c3)sc3ccccc34)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)C(c3ccccc3)(c3ccc5c(c3)oc3ccccc35)c3ccccc3-4)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)C(c2ccccc2)(c2ccc4c(c2)oc2ccccc24)c2ccccc2-3)cc1
InChIInChI=1S/C55H35NOS.C49H33NO.C43H29NO/c1-3-13-36(14-4-1)37-23-26-40(27-24-37)56(42-29-31-47-46-19-9-12-22-53(46)58-54(47)35-42)41-28-30-44-43-17-7-10-20-49(43)55(50(44)34-41,38-15-5-2-6-16-38)39-25-32-52-48(33-39)45-18-8-11-21-51(45)57-52;1-4-14-34(15-5-1)35-24-27-39(28-25-35)50(38-18-8-3-9-19-38)40-29-31-42-41-20-10-12-22-45(41)49(46(42)33-40,36-16-6-2-7-17-36)37-26-30-44-43-21-11-13-23-47(43)51-48(44)32-37;1-4-14-30(15-5-1)43(31-24-26-38-37-21-11-13-23-41(37)45-42(38)28-31)39-22-12-10-20-35(39)36-27-25-34(29-40(36)43)44(32-16-6-2-7-17-32)33-18-8-3-9-19-33/h1-35H;1-33H;1-29H
InChIKeyAAHZRVXYIUFANM-UHFFFAOYSA-N
MW1985.48 g/mol
LogP39.96
Rot. Bonds17

About 9-dibenzofuran-3-yl-N,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-(9-dibenzofuran-2-yl-9-phenylfluoren-2-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine;9-dibenzofuran-3-yl-N,N,9-triphenylfluoren-2-amine

9-dibenzofuran-3-yl-N,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-(9-dibenzofuran-2-yl-9-phenylfluoren-2-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine;9-dibenzofuran-3-yl-N,N,9-triphenylfluoren-2-amine (PubChem CID 157052053) has the molecular formula C147H97N3O3S and a molecular weight of 1985.48 g/mol. Its IUPAC name is 9-dibenzofuran-3-yl-N,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-(9-dibenzofuran-2-yl-9-phenylfluoren-2-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine;9-dibenzofuran-3-yl-N,N,9-triphenylfluoren-2-amine.

Molecular Properties

Compound Name9-dibenzofuran-3-yl-N,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-(9-dibenzofuran-2-yl-9-phenylfluoren-2-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine;9-dibenzofuran-3-yl-N,N,9-triphenylfluoren-2-amine
PubChem CID157052053
Molecular FormulaC147H97N3O3S
Molecular Weight1985.48 g/mol
Exact Mass1983.73
IUPAC Name9-dibenzofuran-3-yl-N,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-(9-dibenzofuran-2-yl-9-phenylfluoren-2-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine;9-dibenzofuran-3-yl-N,N,9-triphenylfluoren-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccc5oc6ccccc6c5c3)c3ccccc3-4)c3ccc4c(c3)sc3ccccc34)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)C(c3ccccc3)(c3ccc5c(c3)oc3ccccc35)c3ccccc3-4)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)C(c2ccccc2)(c2ccc4c(c2)oc2ccccc24)c2ccccc2-3)cc1
InChIInChI=1S/C55H35NOS.C49H33NO.C43H29NO/c1-3-13-36(14-4-1)37-23-26-40(27-24-37)56(42-29-31-47-46-19-9-12-22-53(46)58-54(47)35-42)41-28-30-44-43-17-7-10-20-49(43)55(50(44)34-41,38-15-5-2-6-16-38)39-25-32-52-48(33-39)45-18-8-11-21-51(45)57-52;1-4-14-34(15-5-1)35-24-27-39(28-25-35)50(38-18-8-3-9-19-38)40-29-31-42-41-20-10-12-22-45(41)49(46(42)33-40,36-16-6-2-7-17-36)37-26-30-44-43-21-11-13-23-47(43)51-48(44)32-37;1-4-14-30(15-5-1)43(31-24-26-38-37-21-11-13-23-41(37)45-42(38)28-31)39-22-12-10-20-35(39)36-27-25-34(29-40(36)43)44(32-16-6-2-7-17-32)33-18-8-3-9-19-33/h1-35H;1-33H;1-29H
InChIKeyAAHZRVXYIUFANM-UHFFFAOYSA-N
XLogP39.96
TPSA49.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms154
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001985.48
LogP ≤ 539.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 9-dibenzofuran-3-yl-N,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-(9-dibenzofuran-2-yl-9-phenylfluoren-2-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine;9-dibenzofuran-3-yl-N,N,9-triphenylfluoren-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-dibenzofuran-3-yl-N,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-(9-dibenzofuran-2-yl-9-phenylfluoren-2-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine;9-dibenzofuran-3-yl-N,N,9-triphenylfluoren-2-amine?
The IUPAC name of 9-dibenzofuran-3-yl-N,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-(9-dibenzofuran-2-yl-9-phenylfluoren-2-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine;9-dibenzofuran-3-yl-N,N,9-triphenylfluoren-2-amine (CID 157052053) is 9-dibenzofuran-3-yl-N,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-(9-dibenzofuran-2-yl-9-phenylfluoren-2-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine;9-dibenzofuran-3-yl-N,N,9-triphenylfluoren-2-amine.
What is the SMILES notation for 9-dibenzofuran-3-yl-N,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-(9-dibenzofuran-2-yl-9-phenylfluoren-2-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine;9-dibenzofuran-3-yl-N,N,9-triphenylfluoren-2-amine?
The canonical SMILES for 9-dibenzofuran-3-yl-N,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-(9-dibenzofuran-2-yl-9-phenylfluoren-2-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine;9-dibenzofuran-3-yl-N,N,9-triphenylfluoren-2-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccc5oc6ccccc6c5c3)c3ccccc3-4)c3ccc4c(c3)sc3ccccc34)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)C(c3ccccc3)(c3ccc5c(c3)oc3ccccc35)c3ccccc3-4)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)C(c2ccccc2)(c2ccc4c(c2)oc2ccccc24)c2ccccc2-3)cc1.
What is the InChIKey of 9-dibenzofuran-3-yl-N,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-(9-dibenzofuran-2-yl-9-phenylfluoren-2-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine;9-dibenzofuran-3-yl-N,N,9-triphenylfluoren-2-amine?
The InChIKey is AAHZRVXYIUFANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35NOS.C49H33NO.C43H29NO/c1-3-13-36(14-4-1)37-23-26-40(27-24-37)56(42-29-31-47-46-19-9-12-22-53(46)58-54(47)35-42)41-28-30-44-43-17-7-10-20-49(43)55(50(44)34-41,38-15-5-2-6-16-38)39-25-32-52-48(33-39)45-18-8-11-21-51(45)57-52;1-4-14-34(15-5-1)35-24-27-39(28-25-35)50(38-18-8-3-9-19-38)40-29-31-42-41-20-10-12-22-45(41)49(46(42)33-40,36-16-6-2-7-17-36)37-26-30-44-43-21-11-13-23-47(43)51-48(44)32-37;1-4-14-30(15-5-1)43(31-24-26-38-37-21-11-13-23-41(37)45-42(38)28-31)39-22-12-10-20-35(39)36-27-25-34(29-40(36)43)44(32-16-6-2-7-17-32)33-18-8-3-9-19-33/h1-35H;1-33H;1-29H.
What are the key properties of 9-dibenzofuran-3-yl-N,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-(9-dibenzofuran-2-yl-9-phenylfluoren-2-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine;9-dibenzofuran-3-yl-N,N,9-triphenylfluoren-2-amine?
9-dibenzofuran-3-yl-N,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-(9-dibenzofuran-2-yl-9-phenylfluoren-2-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine;9-dibenzofuran-3-yl-N,N,9-triphenylfluoren-2-amine has a molecular weight of 1985.48 g/mol, XLogP of 39.96, 17 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dibenzofuran-3-yl-N,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-(9-dibenzofuran-2-yl-9-phenylfluoren-2-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine;9-dibenzofuran-3-yl-N,N,9-triphenylfluoren-2-amine is sourced from PubChem (CID 157052053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).