9-dibenzothiophen-1-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-phenyl-N-(2-phenylphenyl)fluoren-3-amine;9-dibenzothiophen-2-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-phenyl-N-(2-phenylphenyl)fluoren-3-amine;9-dibenzothiophen-3-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-phenyl-N-(2-phenylphenyl)fluoren-3-amine;9-dibenzothiophen-4-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-phenyl-N-(4-phenylphenyl)fluoren-3-amine

C212H140N4S4 — CID 159062031

IUPAC9-dibenzothiophen-1-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-phenyl-N-(2-phenylphenyl)fluoren-3-amine;9-dibenzothiophen-2-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-phenyl-N-(2-phenylphenyl)fluoren-3-amine;9-dibenzothiophen-3-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-phenyl-N-(2-phenylphenyl)fluoren-3-amine;9-dibenzothiophen-4-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-phenyl-N-(4-phenylphenyl)fluoren-3-amine
SMILES[2H]c1c([2H])c([2H])c2c(C3(c4ccc5c(c4)sc4ccccc45)c4ccccc4-c4cc(N(c5ccccc5)c5ccccc5-c5ccccc5)ccc43)c([2H])c([2H])c([2H])c2c1[2H].[2H]c1c([2H])c([2H])c2c(C3(c4ccc5sc6ccccc6c5c4)c4ccccc4-c4cc(N(c5ccccc5)c5ccccc5-c5ccccc5)ccc43)c([2H])c([2H])c([2H])c2c1[2H].[2H]c1c([2H])c([2H])c2c(C3(c4cccc5c4sc4ccccc45)c4ccccc4-c4cc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)ccc43)c([2H])c([2H])c([2H])c2c1[2H].[2H]c1c([2H])c([2H])c2c(C3(c4cccc5sc6ccccc6c45)c4ccccc4-c4cc(N(c5ccccc5)c5ccccc5-c5ccccc5)ccc43)c([2H])c([2H])c([2H])c2c1[2H]
InChIInChI=1S/4C53H35NS/c1-3-17-37(18-4-1)41-24-10-13-30-49(41)54(38-21-5-2-6-22-38)39-33-34-47-44(35-39)42-25-9-12-27-46(42)53(47,45-28-15-20-36-19-7-8-23-40(36)45)48-29-16-32-51-52(48)43-26-11-14-31-50(43)55-51;1-3-16-37(17-4-1)42-23-10-13-28-50(42)54(39-20-5-2-6-21-39)40-31-32-49-45(35-40)43-24-9-12-26-48(43)53(49,47-27-15-19-36-18-7-8-22-41(36)47)38-30-33-52-46(34-38)44-25-11-14-29-51(44)55-52;1-3-16-37(17-4-1)42-23-10-13-28-50(42)54(39-20-5-2-6-21-39)40-31-33-49-46(35-40)43-24-9-12-26-48(43)53(49,47-27-15-19-36-18-7-8-22-41(36)47)38-30-32-45-44-25-11-14-29-51(44)55-52(45)34-38;1-3-15-36(16-4-1)37-29-31-40(32-30-37)54(39-19-5-2-6-20-39)41-33-34-49-46(35-41)43-22-9-11-25-48(43)53(49,47-26-13-18-38-17-7-8-21-42(38)47)50-27-14-24-45-44-23-10-12-28-51(44)55-52(45)50/h4*1-35H/i7D,8D,15D,19D,20D,23D,28D;2*7D,8D,15D,18D,19D,22D,27D;7D,8D,13D,17D,18D,21D,26D
InChIKeyJYPBCWGQJBYGNM-JMGDXHSUSA-N
MW2899.92 g/mol
LogP58.83
Rot. Bonds24

About 9-dibenzothiophen-1-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-phenyl-N-(2-phenylphenyl)fluoren-3-amine;9-dibenzothiophen-2-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-phenyl-N-(2-phenylphenyl)fluoren-3-amine;9-dibenzothiophen-3-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-phenyl-N-(2-phenylphenyl)fluoren-3-amine;9-dibenzothiophen-4-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-phenyl-N-(4-phenylphenyl)fluoren-3-amine

9-dibenzothiophen-1-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-phenyl-N-(2-phenylphenyl)fluoren-3-amine;9-dibenzothiophen-2-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-phenyl-N-(2-phenylphenyl)fluoren-3-amine;9-dibenzothiophen-3-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-phenyl-N-(2-phenylphenyl)fluoren-3-amine;9-dibenzothiophen-4-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-phenyl-N-(4-phenylphenyl)fluoren-3-amine (PubChem CID 159062031) has the molecular formula C212H140N4S4 and a molecular weight of 2899.92 g/mol. Its IUPAC name is 9-dibenzothiophen-1-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-phenyl-N-(2-phenylphenyl)fluoren-3-amine;9-dibenzothiophen-2-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-phenyl-N-(2-phenylphenyl)fluoren-3-amine;9-dibenzothiophen-3-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-phenyl-N-(2-phenylphenyl)fluoren-3-amine;9-dibenzothiophen-4-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-phenyl-N-(4-phenylphenyl)fluoren-3-amine.

Molecular Properties

Compound Name9-dibenzothiophen-1-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-phenyl-N-(2-phenylphenyl)fluoren-3-amine;9-dibenzothiophen-2-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-phenyl-N-(2-phenylphenyl)fluoren-3-amine;9-dibenzothiophen-3-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-phenyl-N-(2-phenylphenyl)fluoren-3-amine;9-dibenzothiophen-4-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-phenyl-N-(4-phenylphenyl)fluoren-3-amine
PubChem CID159062031
Molecular FormulaC212H140N4S4
Molecular Weight2899.92 g/mol
Exact Mass2897.17
IUPAC Name9-dibenzothiophen-1-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-phenyl-N-(2-phenylphenyl)fluoren-3-amine;9-dibenzothiophen-2-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-phenyl-N-(2-phenylphenyl)fluoren-3-amine;9-dibenzothiophen-3-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-phenyl-N-(2-phenylphenyl)fluoren-3-amine;9-dibenzothiophen-4-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-phenyl-N-(4-phenylphenyl)fluoren-3-amine
SMILES[2H]c1c([2H])c([2H])c2c(C3(c4ccc5c(c4)sc4ccccc45)c4ccccc4-c4cc(N(c5ccccc5)c5ccccc5-c5ccccc5)ccc43)c([2H])c([2H])c([2H])c2c1[2H].[2H]c1c([2H])c([2H])c2c(C3(c4ccc5sc6ccccc6c5c4)c4ccccc4-c4cc(N(c5ccccc5)c5ccccc5-c5ccccc5)ccc43)c([2H])c([2H])c([2H])c2c1[2H].[2H]c1c([2H])c([2H])c2c(C3(c4cccc5c4sc4ccccc45)c4ccccc4-c4cc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)ccc43)c([2H])c([2H])c([2H])c2c1[2H].[2H]c1c([2H])c([2H])c2c(C3(c4cccc5sc6ccccc6c45)c4ccccc4-c4cc(N(c5ccccc5)c5ccccc5-c5ccccc5)ccc43)c([2H])c([2H])c([2H])c2c1[2H]
InChIInChI=1S/4C53H35NS/c1-3-17-37(18-4-1)41-24-10-13-30-49(41)54(38-21-5-2-6-22-38)39-33-34-47-44(35-39)42-25-9-12-27-46(42)53(47,45-28-15-20-36-19-7-8-23-40(36)45)48-29-16-32-51-52(48)43-26-11-14-31-50(43)55-51;1-3-16-37(17-4-1)42-23-10-13-28-50(42)54(39-20-5-2-6-21-39)40-31-32-49-45(35-40)43-24-9-12-26-48(43)53(49,47-27-15-19-36-18-7-8-22-41(36)47)38-30-33-52-46(34-38)44-25-11-14-29-51(44)55-52;1-3-16-37(17-4-1)42-23-10-13-28-50(42)54(39-20-5-2-6-21-39)40-31-33-49-46(35-40)43-24-9-12-26-48(43)53(49,47-27-15-19-36-18-7-8-22-41(36)47)38-30-32-45-44-25-11-14-29-51(44)55-52(45)34-38;1-3-15-36(16-4-1)37-29-31-40(32-30-37)54(39-19-5-2-6-20-39)41-33-34-49-46(35-41)43-22-9-11-25-48(43)53(49,47-26-13-18-38-17-7-8-21-42(38)47)50-27-14-24-45-44-23-10-12-28-51(44)55-52(45)50/h4*1-35H/i7D,8D,15D,19D,20D,23D,28D;2*7D,8D,15D,18D,19D,22D,27D;7D,8D,13D,17D,18D,21D,26D
InChIKeyJYPBCWGQJBYGNM-JMGDXHSUSA-N
XLogP58.83
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds24
Heavy Atoms220
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002899.92
LogP ≤ 558.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 9-dibenzothiophen-1-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-phenyl-N-(2-phenylphenyl)fluoren-3-amine;9-dibenzothiophen-2-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-phenyl-N-(2-phenylphenyl)fluoren-3-amine;9-dibenzothiophen-3-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-phenyl-N-(2-phenylphenyl)fluoren-3-amine;9-dibenzothiophen-4-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-phenyl-N-(4-phenylphenyl)fluoren-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-dibenzothiophen-1-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-phenyl-N-(2-phenylphenyl)fluoren-3-amine;9-dibenzothiophen-2-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-phenyl-N-(2-phenylphenyl)fluoren-3-amine;9-dibenzothiophen-3-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-phenyl-N-(2-phenylphenyl)fluoren-3-amine;9-dibenzothiophen-4-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-phenyl-N-(4-phenylphenyl)fluoren-3-amine?
The IUPAC name of 9-dibenzothiophen-1-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-phenyl-N-(2-phenylphenyl)fluoren-3-amine;9-dibenzothiophen-2-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-phenyl-N-(2-phenylphenyl)fluoren-3-amine;9-dibenzothiophen-3-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-phenyl-N-(2-phenylphenyl)fluoren-3-amine;9-dibenzothiophen-4-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-phenyl-N-(4-phenylphenyl)fluoren-3-amine (CID 159062031) is 9-dibenzothiophen-1-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-phenyl-N-(2-phenylphenyl)fluoren-3-amine;9-dibenzothiophen-2-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-phenyl-N-(2-phenylphenyl)fluoren-3-amine;9-dibenzothiophen-3-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-phenyl-N-(2-phenylphenyl)fluoren-3-amine;9-dibenzothiophen-4-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-phenyl-N-(4-phenylphenyl)fluoren-3-amine.
What is the SMILES notation for 9-dibenzothiophen-1-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-phenyl-N-(2-phenylphenyl)fluoren-3-amine;9-dibenzothiophen-2-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-phenyl-N-(2-phenylphenyl)fluoren-3-amine;9-dibenzothiophen-3-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-phenyl-N-(2-phenylphenyl)fluoren-3-amine;9-dibenzothiophen-4-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-phenyl-N-(4-phenylphenyl)fluoren-3-amine?
The canonical SMILES for 9-dibenzothiophen-1-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-phenyl-N-(2-phenylphenyl)fluoren-3-amine;9-dibenzothiophen-2-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-phenyl-N-(2-phenylphenyl)fluoren-3-amine;9-dibenzothiophen-3-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-phenyl-N-(2-phenylphenyl)fluoren-3-amine;9-dibenzothiophen-4-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-phenyl-N-(4-phenylphenyl)fluoren-3-amine is [2H]c1c([2H])c([2H])c2c(C3(c4ccc5c(c4)sc4ccccc45)c4ccccc4-c4cc(N(c5ccccc5)c5ccccc5-c5ccccc5)ccc43)c([2H])c([2H])c([2H])c2c1[2H].[2H]c1c([2H])c([2H])c2c(C3(c4ccc5sc6ccccc6c5c4)c4ccccc4-c4cc(N(c5ccccc5)c5ccccc5-c5ccccc5)ccc43)c([2H])c([2H])c([2H])c2c1[2H].[2H]c1c([2H])c([2H])c2c(C3(c4cccc5c4sc4ccccc45)c4ccccc4-c4cc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)ccc43)c([2H])c([2H])c([2H])c2c1[2H].[2H]c1c([2H])c([2H])c2c(C3(c4cccc5sc6ccccc6c45)c4ccccc4-c4cc(N(c5ccccc5)c5ccccc5-c5ccccc5)ccc43)c([2H])c([2H])c([2H])c2c1[2H].
What is the InChIKey of 9-dibenzothiophen-1-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-phenyl-N-(2-phenylphenyl)fluoren-3-amine;9-dibenzothiophen-2-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-phenyl-N-(2-phenylphenyl)fluoren-3-amine;9-dibenzothiophen-3-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-phenyl-N-(2-phenylphenyl)fluoren-3-amine;9-dibenzothiophen-4-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-phenyl-N-(4-phenylphenyl)fluoren-3-amine?
The InChIKey is JYPBCWGQJBYGNM-JMGDXHSUSA-N. The full InChI is InChI=1S/4C53H35NS/c1-3-17-37(18-4-1)41-24-10-13-30-49(41)54(38-21-5-2-6-22-38)39-33-34-47-44(35-39)42-25-9-12-27-46(42)53(47,45-28-15-20-36-19-7-8-23-40(36)45)48-29-16-32-51-52(48)43-26-11-14-31-50(43)55-51;1-3-16-37(17-4-1)42-23-10-13-28-50(42)54(39-20-5-2-6-21-39)40-31-32-49-45(35-40)43-24-9-12-26-48(43)53(49,47-27-15-19-36-18-7-8-22-41(36)47)38-30-33-52-46(34-38)44-25-11-14-29-51(44)55-52;1-3-16-37(17-4-1)42-23-10-13-28-50(42)54(39-20-5-2-6-21-39)40-31-33-49-46(35-40)43-24-9-12-26-48(43)53(49,47-27-15-19-36-18-7-8-22-41(36)47)38-30-32-45-44-25-11-14-29-51(44)55-52(45)34-38;1-3-15-36(16-4-1)37-29-31-40(32-30-37)54(39-19-5-2-6-20-39)41-33-34-49-46(35-41)43-22-9-11-25-48(43)53(49,47-26-13-18-38-17-7-8-21-42(38)47)50-27-14-24-45-44-23-10-12-28-51(44)55-52(45)50/h4*1-35H/i7D,8D,15D,19D,20D,23D,28D;2*7D,8D,15D,18D,19D,22D,27D;7D,8D,13D,17D,18D,21D,26D.
What are the key properties of 9-dibenzothiophen-1-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-phenyl-N-(2-phenylphenyl)fluoren-3-amine;9-dibenzothiophen-2-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-phenyl-N-(2-phenylphenyl)fluoren-3-amine;9-dibenzothiophen-3-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-phenyl-N-(2-phenylphenyl)fluoren-3-amine;9-dibenzothiophen-4-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-phenyl-N-(4-phenylphenyl)fluoren-3-amine?
9-dibenzothiophen-1-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-phenyl-N-(2-phenylphenyl)fluoren-3-amine;9-dibenzothiophen-2-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-phenyl-N-(2-phenylphenyl)fluoren-3-amine;9-dibenzothiophen-3-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-phenyl-N-(2-phenylphenyl)fluoren-3-amine;9-dibenzothiophen-4-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-phenyl-N-(4-phenylphenyl)fluoren-3-amine has a molecular weight of 2899.92 g/mol, XLogP of 58.83, 24 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dibenzothiophen-1-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-phenyl-N-(2-phenylphenyl)fluoren-3-amine;9-dibenzothiophen-2-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-phenyl-N-(2-phenylphenyl)fluoren-3-amine;9-dibenzothiophen-3-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-phenyl-N-(2-phenylphenyl)fluoren-3-amine;9-dibenzothiophen-4-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-phenyl-N-(4-phenylphenyl)fluoren-3-amine is sourced from PubChem (CID 159062031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).