7-dibenzothiophen-2-yl-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-naphthalen-1-yldibenzothiophen-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine;N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

C181H122N4OS5 — CID 158200664

IUPAC7-dibenzothiophen-2-yl-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-naphthalen-1-yldibenzothiophen-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine;N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESCC1(C)c2cc(-c3ccc4sc5ccccc5c4c3)ccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc21.c1ccc(-c2ccc(N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3ccc4oc5ccccc5c4c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)cc3)cc2)cc1.c1ccc2c(N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3ccc4sc5ccccc5c4c3)cccc2c1
InChIInChI=1S/C51H37NS.C48H33NS.C42H27NOS.C40H25NS2/c1-51(2)47-32-39(38-22-30-50-46(31-38)45-15-9-10-16-49(45)53-50)21-28-43(47)44-29-27-42(33-48(44)51)52(40-23-17-36(18-24-40)34-11-5-3-6-12-34)41-25-19-37(20-26-41)35-13-7-4-8-14-35;1-3-9-34(10-4-1)37-19-26-42(27-20-37)49(43-28-21-38(22-29-43)35-11-5-2-6-12-35)44-30-23-39(24-31-44)36-15-17-40(18-16-36)41-25-32-48-46(33-41)45-13-7-8-14-47(45)50-48;1-2-8-28(9-3-1)29-14-19-32(20-15-29)43(34-23-24-40-37(27-34)35-10-4-6-12-39(35)44-40)33-21-16-30(17-22-33)31-18-25-42-38(26-31)36-11-5-7-13-41(36)45-42;1-2-10-31-27(8-1)9-7-13-36(31)41(30-21-23-40-35(25-30)33-12-4-6-15-38(33)43-40)29-19-16-26(17-20-29)28-18-22-39-34(24-28)32-11-3-5-14-37(32)42-39/h3-33H,1-2H3;1-33H;1-27H;1-25H
InChIKeyGAWVTSZDCWIYAS-UHFFFAOYSA-N
MW2529.33 g/mol
LogP54.49
Rot. Bonds22

About 7-dibenzothiophen-2-yl-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-naphthalen-1-yldibenzothiophen-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine;N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

7-dibenzothiophen-2-yl-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-naphthalen-1-yldibenzothiophen-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine;N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 158200664) has the molecular formula C181H122N4OS5 and a molecular weight of 2529.33 g/mol. Its IUPAC name is 7-dibenzothiophen-2-yl-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-naphthalen-1-yldibenzothiophen-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine;N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name7-dibenzothiophen-2-yl-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-naphthalen-1-yldibenzothiophen-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine;N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
PubChem CID158200664
Molecular FormulaC181H122N4OS5
Molecular Weight2529.33 g/mol
Exact Mass2526.82
IUPAC Name7-dibenzothiophen-2-yl-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-naphthalen-1-yldibenzothiophen-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine;N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESCC1(C)c2cc(-c3ccc4sc5ccccc5c4c3)ccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc21.c1ccc(-c2ccc(N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3ccc4oc5ccccc5c4c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)cc3)cc2)cc1.c1ccc2c(N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3ccc4sc5ccccc5c4c3)cccc2c1
InChIInChI=1S/C51H37NS.C48H33NS.C42H27NOS.C40H25NS2/c1-51(2)47-32-39(38-22-30-50-46(31-38)45-15-9-10-16-49(45)53-50)21-28-43(47)44-29-27-42(33-48(44)51)52(40-23-17-36(18-24-40)34-11-5-3-6-12-34)41-25-19-37(20-26-41)35-13-7-4-8-14-35;1-3-9-34(10-4-1)37-19-26-42(27-20-37)49(43-28-21-38(22-29-43)35-11-5-2-6-12-35)44-30-23-39(24-31-44)36-15-17-40(18-16-36)41-25-32-48-46(33-41)45-13-7-8-14-47(45)50-48;1-2-8-28(9-3-1)29-14-19-32(20-15-29)43(34-23-24-40-37(27-34)35-10-4-6-12-39(35)44-40)33-21-16-30(17-22-33)31-18-25-42-38(26-31)36-11-5-7-13-41(36)45-42;1-2-10-31-27(8-1)9-7-13-36(31)41(30-21-23-40-35(25-30)33-12-4-6-15-38(33)43-40)29-19-16-26(17-20-29)28-18-22-39-34(24-28)32-11-3-5-14-37(32)42-39/h3-33H,1-2H3;1-33H;1-27H;1-25H
InChIKeyGAWVTSZDCWIYAS-UHFFFAOYSA-N
XLogP54.49
TPSA26.10 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds22
Heavy Atoms191
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002529.33
LogP ≤ 554.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 7-dibenzothiophen-2-yl-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-naphthalen-1-yldibenzothiophen-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine;N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-dibenzothiophen-2-yl-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-naphthalen-1-yldibenzothiophen-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine;N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of 7-dibenzothiophen-2-yl-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-naphthalen-1-yldibenzothiophen-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine;N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (CID 158200664) is 7-dibenzothiophen-2-yl-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-naphthalen-1-yldibenzothiophen-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine;N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 7-dibenzothiophen-2-yl-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-naphthalen-1-yldibenzothiophen-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine;N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for 7-dibenzothiophen-2-yl-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-naphthalen-1-yldibenzothiophen-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine;N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is CC1(C)c2cc(-c3ccc4sc5ccccc5c4c3)ccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc21.c1ccc(-c2ccc(N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3ccc4oc5ccccc5c4c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)cc3)cc2)cc1.c1ccc2c(N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3ccc4sc5ccccc5c4c3)cccc2c1.
What is the InChIKey of 7-dibenzothiophen-2-yl-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-naphthalen-1-yldibenzothiophen-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine;N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is GAWVTSZDCWIYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H37NS.C48H33NS.C42H27NOS.C40H25NS2/c1-51(2)47-32-39(38-22-30-50-46(31-38)45-15-9-10-16-49(45)53-50)21-28-43(47)44-29-27-42(33-48(44)51)52(40-23-17-36(18-24-40)34-11-5-3-6-12-34)41-25-19-37(20-26-41)35-13-7-4-8-14-35;1-3-9-34(10-4-1)37-19-26-42(27-20-37)49(43-28-21-38(22-29-43)35-11-5-2-6-12-35)44-30-23-39(24-31-44)36-15-17-40(18-16-36)41-25-32-48-46(33-41)45-13-7-8-14-47(45)50-48;1-2-8-28(9-3-1)29-14-19-32(20-15-29)43(34-23-24-40-37(27-34)35-10-4-6-12-39(35)44-40)33-21-16-30(17-22-33)31-18-25-42-38(26-31)36-11-5-7-13-41(36)45-42;1-2-10-31-27(8-1)9-7-13-36(31)41(30-21-23-40-35(25-30)33-12-4-6-15-38(33)43-40)29-19-16-26(17-20-29)28-18-22-39-34(24-28)32-11-3-5-14-37(32)42-39/h3-33H,1-2H3;1-33H;1-27H;1-25H.
What are the key properties of 7-dibenzothiophen-2-yl-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-naphthalen-1-yldibenzothiophen-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine;N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
7-dibenzothiophen-2-yl-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-naphthalen-1-yldibenzothiophen-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine;N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 2529.33 g/mol, XLogP of 54.49, 22 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-dibenzothiophen-2-yl-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-naphthalen-1-yldibenzothiophen-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine;N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 158200664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).