N,N-diphenyl-8-(9-phenylfluoren-9-yl)dibenzofuran-3-amine;N,N-diphenyl-8-(9-phenylfluoren-9-yl)dibenzothiophen-2-amine;N-phenyl-7-(9-phenylfluoren-9-yl)-N-(2-phenylphenyl)dibenzofuran-1-amine

C135H91N3O2S — CID 163683268

IUPACN,N-diphenyl-8-(9-phenylfluoren-9-yl)dibenzofuran-3-amine;N,N-diphenyl-8-(9-phenylfluoren-9-yl)dibenzothiophen-2-amine;N-phenyl-7-(9-phenylfluoren-9-yl)-N-(2-phenylphenyl)dibenzofuran-1-amine
SMILESc1ccc(-c2ccccc2N(c2ccccc2)c2cccc3oc4cc(C5(c6ccccc6)c6ccccc6-c6ccccc65)ccc4c23)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)oc2ccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc23)cc1.c1ccc(N(c2ccccc2)c2ccc3sc4ccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc4c3c2)cc1
InChIInChI=1S/C49H33NO.C43H29NO.C43H29NS/c1-4-17-34(18-5-1)38-23-12-15-28-44(38)50(37-21-8-3-9-22-37)45-29-16-30-46-48(45)41-32-31-36(33-47(41)51-46)49(35-19-6-2-7-20-35)42-26-13-10-24-39(42)40-25-11-14-27-43(40)49;1-4-14-30(15-5-1)43(39-22-12-10-20-35(39)36-21-11-13-23-40(36)43)31-24-27-41-38(28-31)37-26-25-34(29-42(37)45-41)44(32-16-6-2-7-17-32)33-18-8-3-9-19-33;1-4-14-30(15-5-1)43(39-22-12-10-20-35(39)36-21-11-13-23-40(36)43)31-24-26-41-37(28-31)38-29-34(25-27-42(38)45-41)44(32-16-6-2-7-17-32)33-18-8-3-9-19-33/h1-33H;2*1-29H
InChIKeyJMQAOPBAHAQMCJ-UHFFFAOYSA-N
MW1819.30 g/mol
LogP36.39
Rot. Bonds16

About N,N-diphenyl-8-(9-phenylfluoren-9-yl)dibenzofuran-3-amine;N,N-diphenyl-8-(9-phenylfluoren-9-yl)dibenzothiophen-2-amine;N-phenyl-7-(9-phenylfluoren-9-yl)-N-(2-phenylphenyl)dibenzofuran-1-amine

N,N-diphenyl-8-(9-phenylfluoren-9-yl)dibenzofuran-3-amine;N,N-diphenyl-8-(9-phenylfluoren-9-yl)dibenzothiophen-2-amine;N-phenyl-7-(9-phenylfluoren-9-yl)-N-(2-phenylphenyl)dibenzofuran-1-amine (PubChem CID 163683268) has the molecular formula C135H91N3O2S and a molecular weight of 1819.30 g/mol. Its IUPAC name is N,N-diphenyl-8-(9-phenylfluoren-9-yl)dibenzofuran-3-amine;N,N-diphenyl-8-(9-phenylfluoren-9-yl)dibenzothiophen-2-amine;N-phenyl-7-(9-phenylfluoren-9-yl)-N-(2-phenylphenyl)dibenzofuran-1-amine.

Molecular Properties

Compound NameN,N-diphenyl-8-(9-phenylfluoren-9-yl)dibenzofuran-3-amine;N,N-diphenyl-8-(9-phenylfluoren-9-yl)dibenzothiophen-2-amine;N-phenyl-7-(9-phenylfluoren-9-yl)-N-(2-phenylphenyl)dibenzofuran-1-amine
PubChem CID163683268
Molecular FormulaC135H91N3O2S
Molecular Weight1819.30 g/mol
Exact Mass1817.68
IUPAC NameN,N-diphenyl-8-(9-phenylfluoren-9-yl)dibenzofuran-3-amine;N,N-diphenyl-8-(9-phenylfluoren-9-yl)dibenzothiophen-2-amine;N-phenyl-7-(9-phenylfluoren-9-yl)-N-(2-phenylphenyl)dibenzofuran-1-amine
SMILESc1ccc(-c2ccccc2N(c2ccccc2)c2cccc3oc4cc(C5(c6ccccc6)c6ccccc6-c6ccccc65)ccc4c23)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)oc2ccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc23)cc1.c1ccc(N(c2ccccc2)c2ccc3sc4ccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc4c3c2)cc1
InChIInChI=1S/C49H33NO.C43H29NO.C43H29NS/c1-4-17-34(18-5-1)38-23-12-15-28-44(38)50(37-21-8-3-9-22-37)45-29-16-30-46-48(45)41-32-31-36(33-47(41)51-46)49(35-19-6-2-7-20-35)42-26-13-10-24-39(42)40-25-11-14-27-43(40)49;1-4-14-30(15-5-1)43(39-22-12-10-20-35(39)36-21-11-13-23-40(36)43)31-24-27-41-38(28-31)37-26-25-34(29-42(37)45-41)44(32-16-6-2-7-17-32)33-18-8-3-9-19-33;1-4-14-30(15-5-1)43(39-22-12-10-20-35(39)36-21-11-13-23-40(36)43)31-24-26-41-37(28-31)38-29-34(25-27-42(38)45-41)44(32-16-6-2-7-17-32)33-18-8-3-9-19-33/h1-33H;2*1-29H
InChIKeyJMQAOPBAHAQMCJ-UHFFFAOYSA-N
XLogP36.39
TPSA36.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms141
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001819.30
LogP ≤ 536.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N,N-diphenyl-8-(9-phenylfluoren-9-yl)dibenzofuran-3-amine;N,N-diphenyl-8-(9-phenylfluoren-9-yl)dibenzothiophen-2-amine;N-phenyl-7-(9-phenylfluoren-9-yl)-N-(2-phenylphenyl)dibenzofuran-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-8-(9-phenylfluoren-9-yl)dibenzofuran-3-amine;N,N-diphenyl-8-(9-phenylfluoren-9-yl)dibenzothiophen-2-amine;N-phenyl-7-(9-phenylfluoren-9-yl)-N-(2-phenylphenyl)dibenzofuran-1-amine?
The IUPAC name of N,N-diphenyl-8-(9-phenylfluoren-9-yl)dibenzofuran-3-amine;N,N-diphenyl-8-(9-phenylfluoren-9-yl)dibenzothiophen-2-amine;N-phenyl-7-(9-phenylfluoren-9-yl)-N-(2-phenylphenyl)dibenzofuran-1-amine (CID 163683268) is N,N-diphenyl-8-(9-phenylfluoren-9-yl)dibenzofuran-3-amine;N,N-diphenyl-8-(9-phenylfluoren-9-yl)dibenzothiophen-2-amine;N-phenyl-7-(9-phenylfluoren-9-yl)-N-(2-phenylphenyl)dibenzofuran-1-amine.
What is the SMILES notation for N,N-diphenyl-8-(9-phenylfluoren-9-yl)dibenzofuran-3-amine;N,N-diphenyl-8-(9-phenylfluoren-9-yl)dibenzothiophen-2-amine;N-phenyl-7-(9-phenylfluoren-9-yl)-N-(2-phenylphenyl)dibenzofuran-1-amine?
The canonical SMILES for N,N-diphenyl-8-(9-phenylfluoren-9-yl)dibenzofuran-3-amine;N,N-diphenyl-8-(9-phenylfluoren-9-yl)dibenzothiophen-2-amine;N-phenyl-7-(9-phenylfluoren-9-yl)-N-(2-phenylphenyl)dibenzofuran-1-amine is c1ccc(-c2ccccc2N(c2ccccc2)c2cccc3oc4cc(C5(c6ccccc6)c6ccccc6-c6ccccc65)ccc4c23)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)oc2ccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc23)cc1.c1ccc(N(c2ccccc2)c2ccc3sc4ccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc4c3c2)cc1.
What is the InChIKey of N,N-diphenyl-8-(9-phenylfluoren-9-yl)dibenzofuran-3-amine;N,N-diphenyl-8-(9-phenylfluoren-9-yl)dibenzothiophen-2-amine;N-phenyl-7-(9-phenylfluoren-9-yl)-N-(2-phenylphenyl)dibenzofuran-1-amine?
The InChIKey is JMQAOPBAHAQMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33NO.C43H29NO.C43H29NS/c1-4-17-34(18-5-1)38-23-12-15-28-44(38)50(37-21-8-3-9-22-37)45-29-16-30-46-48(45)41-32-31-36(33-47(41)51-46)49(35-19-6-2-7-20-35)42-26-13-10-24-39(42)40-25-11-14-27-43(40)49;1-4-14-30(15-5-1)43(39-22-12-10-20-35(39)36-21-11-13-23-40(36)43)31-24-27-41-38(28-31)37-26-25-34(29-42(37)45-41)44(32-16-6-2-7-17-32)33-18-8-3-9-19-33;1-4-14-30(15-5-1)43(39-22-12-10-20-35(39)36-21-11-13-23-40(36)43)31-24-26-41-37(28-31)38-29-34(25-27-42(38)45-41)44(32-16-6-2-7-17-32)33-18-8-3-9-19-33/h1-33H;2*1-29H.
What are the key properties of N,N-diphenyl-8-(9-phenylfluoren-9-yl)dibenzofuran-3-amine;N,N-diphenyl-8-(9-phenylfluoren-9-yl)dibenzothiophen-2-amine;N-phenyl-7-(9-phenylfluoren-9-yl)-N-(2-phenylphenyl)dibenzofuran-1-amine?
N,N-diphenyl-8-(9-phenylfluoren-9-yl)dibenzofuran-3-amine;N,N-diphenyl-8-(9-phenylfluoren-9-yl)dibenzothiophen-2-amine;N-phenyl-7-(9-phenylfluoren-9-yl)-N-(2-phenylphenyl)dibenzofuran-1-amine has a molecular weight of 1819.30 g/mol, XLogP of 36.39, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-8-(9-phenylfluoren-9-yl)dibenzofuran-3-amine;N,N-diphenyl-8-(9-phenylfluoren-9-yl)dibenzothiophen-2-amine;N-phenyl-7-(9-phenylfluoren-9-yl)-N-(2-phenylphenyl)dibenzofuran-1-amine is sourced from PubChem (CID 163683268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).