N-(7-cyclohexylphenanthren-2-yl)-N-dibenzothiophen-4-yldibenzofuran-2-amine;N-dibenzothiophen-4-yl-N-[4-(4-fluorophenyl)phenyl]dibenzofuran-2-amine;N-dibenzothiophen-4-yl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-2-amine;N-dibenzothiophen-4-yl-N-(7-phenylphenanthren-2-yl)dibenzofuran-2-amine

C164H107FN4O4S4 — CID 163425294

IUPACN-(7-cyclohexylphenanthren-2-yl)-N-dibenzothiophen-4-yldibenzofuran-2-amine;N-dibenzothiophen-4-yl-N-[4-(4-fluorophenyl)phenyl]dibenzofuran-2-amine;N-dibenzothiophen-4-yl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-2-amine;N-dibenzothiophen-4-yl-N-(7-phenylphenanthren-2-yl)dibenzofuran-2-amine
SMILESFc1ccc(-c2ccc(N(c3ccc4oc5ccccc5c4c3)c3cccc4c3sc3ccccc34)cc2)cc1.c1ccc(-c2ccc3c(ccc4cc(N(c5ccc6oc7ccccc7c6c5)c5cccc6c5sc5ccccc56)ccc43)c2)cc1.c1ccc(-c2ccc3cc(N(c4ccc5oc6ccccc6c5c4)c4cccc5c4sc4ccccc45)ccc3c2)cc1.c1ccc2c(c1)oc1ccc(N(c3ccc4c(ccc5cc(C6CCCCC6)ccc54)c3)c3cccc4c3sc3ccccc34)cc12
InChIInChI=1S/C44H33NOS.C44H27NOS.C40H25NOS.C36H22FNOS/c2*1-2-9-28(10-3-1)29-19-22-34-30(25-29)17-18-31-26-32(20-23-35(31)34)45(33-21-24-42-39(27-33)36-11-4-6-15-41(36)46-42)40-14-8-13-38-37-12-5-7-16-43(37)47-44(38)40;1-2-9-26(10-3-1)27-17-18-29-24-30(20-19-28(29)23-27)41(31-21-22-38-35(25-31)32-11-4-6-15-37(32)42-38)36-14-8-13-34-33-12-5-7-16-39(33)43-40(34)36;37-25-16-12-23(13-17-25)24-14-18-26(19-15-24)38(27-20-21-34-31(22-27)28-6-1-3-10-33(28)39-34)32-9-5-8-30-29-7-2-4-11-35(29)40-36(30)32/h4-8,11-28H,1-3,9-10H2;1-27H;1-25H;1-22H
InChIKeyALYRKIKONQCHSX-UHFFFAOYSA-N
MW2344.95 g/mol
LogP50.65
Rot. Bonds16

About N-(7-cyclohexylphenanthren-2-yl)-N-dibenzothiophen-4-yldibenzofuran-2-amine;N-dibenzothiophen-4-yl-N-[4-(4-fluorophenyl)phenyl]dibenzofuran-2-amine;N-dibenzothiophen-4-yl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-2-amine;N-dibenzothiophen-4-yl-N-(7-phenylphenanthren-2-yl)dibenzofuran-2-amine

N-(7-cyclohexylphenanthren-2-yl)-N-dibenzothiophen-4-yldibenzofuran-2-amine;N-dibenzothiophen-4-yl-N-[4-(4-fluorophenyl)phenyl]dibenzofuran-2-amine;N-dibenzothiophen-4-yl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-2-amine;N-dibenzothiophen-4-yl-N-(7-phenylphenanthren-2-yl)dibenzofuran-2-amine (PubChem CID 163425294) has the molecular formula C164H107FN4O4S4 and a molecular weight of 2344.95 g/mol. Its IUPAC name is N-(7-cyclohexylphenanthren-2-yl)-N-dibenzothiophen-4-yldibenzofuran-2-amine;N-dibenzothiophen-4-yl-N-[4-(4-fluorophenyl)phenyl]dibenzofuran-2-amine;N-dibenzothiophen-4-yl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-2-amine;N-dibenzothiophen-4-yl-N-(7-phenylphenanthren-2-yl)dibenzofuran-2-amine.

Molecular Properties

Compound NameN-(7-cyclohexylphenanthren-2-yl)-N-dibenzothiophen-4-yldibenzofuran-2-amine;N-dibenzothiophen-4-yl-N-[4-(4-fluorophenyl)phenyl]dibenzofuran-2-amine;N-dibenzothiophen-4-yl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-2-amine;N-dibenzothiophen-4-yl-N-(7-phenylphenanthren-2-yl)dibenzofuran-2-amine
PubChem CID163425294
Molecular FormulaC164H107FN4O4S4
Molecular Weight2344.95 g/mol
Exact Mass2342.72
IUPAC NameN-(7-cyclohexylphenanthren-2-yl)-N-dibenzothiophen-4-yldibenzofuran-2-amine;N-dibenzothiophen-4-yl-N-[4-(4-fluorophenyl)phenyl]dibenzofuran-2-amine;N-dibenzothiophen-4-yl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-2-amine;N-dibenzothiophen-4-yl-N-(7-phenylphenanthren-2-yl)dibenzofuran-2-amine
SMILESFc1ccc(-c2ccc(N(c3ccc4oc5ccccc5c4c3)c3cccc4c3sc3ccccc34)cc2)cc1.c1ccc(-c2ccc3c(ccc4cc(N(c5ccc6oc7ccccc7c6c5)c5cccc6c5sc5ccccc56)ccc43)c2)cc1.c1ccc(-c2ccc3cc(N(c4ccc5oc6ccccc6c5c4)c4cccc5c4sc4ccccc45)ccc3c2)cc1.c1ccc2c(c1)oc1ccc(N(c3ccc4c(ccc5cc(C6CCCCC6)ccc54)c3)c3cccc4c3sc3ccccc34)cc12
InChIInChI=1S/C44H33NOS.C44H27NOS.C40H25NOS.C36H22FNOS/c2*1-2-9-28(10-3-1)29-19-22-34-30(25-29)17-18-31-26-32(20-23-35(31)34)45(33-21-24-42-39(27-33)36-11-4-6-15-41(36)46-42)40-14-8-13-38-37-12-5-7-16-43(37)47-44(38)40;1-2-9-26(10-3-1)27-17-18-29-24-30(20-19-28(29)23-27)41(31-21-22-38-35(25-31)32-11-4-6-15-37(32)42-38)36-14-8-13-34-33-12-5-7-16-39(33)43-40(34)36;37-25-16-12-23(13-17-25)24-14-18-26(19-15-24)38(27-20-21-34-31(22-27)28-6-1-3-10-33(28)39-34)32-9-5-8-30-29-7-2-4-11-35(29)40-36(30)32/h4-8,11-28H,1-3,9-10H2;1-27H;1-25H;1-22H
InChIKeyALYRKIKONQCHSX-UHFFFAOYSA-N
XLogP50.65
TPSA65.52 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms177
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002344.95
LogP ≤ 550.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N-(7-cyclohexylphenanthren-2-yl)-N-dibenzothiophen-4-yldibenzofuran-2-amine;N-dibenzothiophen-4-yl-N-[4-(4-fluorophenyl)phenyl]dibenzofuran-2-amine;N-dibenzothiophen-4-yl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-2-amine;N-dibenzothiophen-4-yl-N-(7-phenylphenanthren-2-yl)dibenzofuran-2-amine with MolForge

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Related Compounds

N-dibenzothiophen-4-yl-N-(7-phenylphenanthren-2-yl)dibenzofuran-2-amine
CID 163425297
N-(7-cyclohexylphenanthren-2-yl)-N-dibenzothiophen-1-yldibenzofuran-3-amine
CID 163627167
N,N-bis(4-cyclohexylphenyl)dibenzofuran-1-amine;N,N-bis(4-cyclohexylphenyl)dibenzothiophen-3-amine;N,N-bis(4-cyclohexylphenyl)dibenzothiophen-4-amine
CID 160564474
N-(4-benzo[c]phenanthren-2-ylphenyl)-N-dibenzothiophen-4-yldibenzofuran-2-amine
CID 167182355
N-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-4-amine
CID 174322209
N-dibenzothiophen-4-yl-N-[4-(6-phenylnaphthalen-2-yl)phenyl]dibenzofuran-1-amine
CID 154605749
N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-phenyldibenzothiophen-4-amine
CID 170031914
N-[3-[17-[3-(N-dibenzothiophen-4-ylanilino)phenyl]-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-7-yl]phenyl]-N-phenyldibenzothiophen-4-amine
CID 147686983
N-dibenzothiophen-4-yl-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzofuran-2-amine
CID 167236480
N-(3-dibenzofuran-3-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)dibenzothiophen-4-amine
CID 164955404
N-[3-[3-[dibenzofuran-3-yl(dibenzothiophen-4-yl)amino]phenyl]phenyl]-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 167086280
N-(3-dibenzofuran-2-yl-5-phenylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-4-amine;N-(3-dibenzofuran-2-yl-5-phenylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzothiophen-4-amine;N-(3-dibenzofuran-2-yl-5-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine;N-(3-dibenzofuran-2-yl-5-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 158542186

Frequently Asked Questions

What is the IUPAC name of N-(7-cyclohexylphenanthren-2-yl)-N-dibenzothiophen-4-yldibenzofuran-2-amine;N-dibenzothiophen-4-yl-N-[4-(4-fluorophenyl)phenyl]dibenzofuran-2-amine;N-dibenzothiophen-4-yl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-2-amine;N-dibenzothiophen-4-yl-N-(7-phenylphenanthren-2-yl)dibenzofuran-2-amine?
The IUPAC name of N-(7-cyclohexylphenanthren-2-yl)-N-dibenzothiophen-4-yldibenzofuran-2-amine;N-dibenzothiophen-4-yl-N-[4-(4-fluorophenyl)phenyl]dibenzofuran-2-amine;N-dibenzothiophen-4-yl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-2-amine;N-dibenzothiophen-4-yl-N-(7-phenylphenanthren-2-yl)dibenzofuran-2-amine (CID 163425294) is N-(7-cyclohexylphenanthren-2-yl)-N-dibenzothiophen-4-yldibenzofuran-2-amine;N-dibenzothiophen-4-yl-N-[4-(4-fluorophenyl)phenyl]dibenzofuran-2-amine;N-dibenzothiophen-4-yl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-2-amine;N-dibenzothiophen-4-yl-N-(7-phenylphenanthren-2-yl)dibenzofuran-2-amine.
What is the SMILES notation for N-(7-cyclohexylphenanthren-2-yl)-N-dibenzothiophen-4-yldibenzofuran-2-amine;N-dibenzothiophen-4-yl-N-[4-(4-fluorophenyl)phenyl]dibenzofuran-2-amine;N-dibenzothiophen-4-yl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-2-amine;N-dibenzothiophen-4-yl-N-(7-phenylphenanthren-2-yl)dibenzofuran-2-amine?
The canonical SMILES for N-(7-cyclohexylphenanthren-2-yl)-N-dibenzothiophen-4-yldibenzofuran-2-amine;N-dibenzothiophen-4-yl-N-[4-(4-fluorophenyl)phenyl]dibenzofuran-2-amine;N-dibenzothiophen-4-yl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-2-amine;N-dibenzothiophen-4-yl-N-(7-phenylphenanthren-2-yl)dibenzofuran-2-amine is Fc1ccc(-c2ccc(N(c3ccc4oc5ccccc5c4c3)c3cccc4c3sc3ccccc34)cc2)cc1.c1ccc(-c2ccc3c(ccc4cc(N(c5ccc6oc7ccccc7c6c5)c5cccc6c5sc5ccccc56)ccc43)c2)cc1.c1ccc(-c2ccc3cc(N(c4ccc5oc6ccccc6c5c4)c4cccc5c4sc4ccccc45)ccc3c2)cc1.c1ccc2c(c1)oc1ccc(N(c3ccc4c(ccc5cc(C6CCCCC6)ccc54)c3)c3cccc4c3sc3ccccc34)cc12.
What is the InChIKey of N-(7-cyclohexylphenanthren-2-yl)-N-dibenzothiophen-4-yldibenzofuran-2-amine;N-dibenzothiophen-4-yl-N-[4-(4-fluorophenyl)phenyl]dibenzofuran-2-amine;N-dibenzothiophen-4-yl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-2-amine;N-dibenzothiophen-4-yl-N-(7-phenylphenanthren-2-yl)dibenzofuran-2-amine?
The InChIKey is ALYRKIKONQCHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H33NOS.C44H27NOS.C40H25NOS.C36H22FNOS/c2*1-2-9-28(10-3-1)29-19-22-34-30(25-29)17-18-31-26-32(20-23-35(31)34)45(33-21-24-42-39(27-33)36-11-4-6-15-41(36)46-42)40-14-8-13-38-37-12-5-7-16-43(37)47-44(38)40;1-2-9-26(10-3-1)27-17-18-29-24-30(20-19-28(29)23-27)41(31-21-22-38-35(25-31)32-11-4-6-15-37(32)42-38)36-14-8-13-34-33-12-5-7-16-39(33)43-40(34)36;37-25-16-12-23(13-17-25)24-14-18-26(19-15-24)38(27-20-21-34-31(22-27)28-6-1-3-10-33(28)39-34)32-9-5-8-30-29-7-2-4-11-35(29)40-36(30)32/h4-8,11-28H,1-3,9-10H2;1-27H;1-25H;1-22H.
What are the key properties of N-(7-cyclohexylphenanthren-2-yl)-N-dibenzothiophen-4-yldibenzofuran-2-amine;N-dibenzothiophen-4-yl-N-[4-(4-fluorophenyl)phenyl]dibenzofuran-2-amine;N-dibenzothiophen-4-yl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-2-amine;N-dibenzothiophen-4-yl-N-(7-phenylphenanthren-2-yl)dibenzofuran-2-amine?
N-(7-cyclohexylphenanthren-2-yl)-N-dibenzothiophen-4-yldibenzofuran-2-amine;N-dibenzothiophen-4-yl-N-[4-(4-fluorophenyl)phenyl]dibenzofuran-2-amine;N-dibenzothiophen-4-yl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-2-amine;N-dibenzothiophen-4-yl-N-(7-phenylphenanthren-2-yl)dibenzofuran-2-amine has a molecular weight of 2344.95 g/mol, XLogP of 50.65, 16 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-cyclohexylphenanthren-2-yl)-N-dibenzothiophen-4-yldibenzofuran-2-amine;N-dibenzothiophen-4-yl-N-[4-(4-fluorophenyl)phenyl]dibenzofuran-2-amine;N-dibenzothiophen-4-yl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-2-amine;N-dibenzothiophen-4-yl-N-(7-phenylphenanthren-2-yl)dibenzofuran-2-amine is sourced from PubChem (CID 163425294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).