N,N-bis(4-cyclohexylphenyl)dibenzofuran-1-amine;N,N-bis(4-cyclohexylphenyl)dibenzothiophen-3-amine;N,N-bis(4-cyclohexylphenyl)dibenzothiophen-4-amine

C108H111N3OS2 — CID 160564474

IUPACN,N-bis(4-cyclohexylphenyl)dibenzofuran-1-amine;N,N-bis(4-cyclohexylphenyl)dibenzothiophen-3-amine;N,N-bis(4-cyclohexylphenyl)dibenzothiophen-4-amine
SMILESc1ccc2c(c1)oc1cccc(N(c3ccc(C4CCCCC4)cc3)c3ccc(C4CCCCC4)cc3)c12.c1ccc2c(c1)sc1c(N(c3ccc(C4CCCCC4)cc3)c3ccc(C4CCCCC4)cc3)cccc12.c1ccc2c(c1)sc1cc(N(c3ccc(C4CCCCC4)cc3)c3ccc(C4CCCCC4)cc3)ccc12
InChIInChI=1S/C36H37NO.2C36H37NS/c1-3-10-26(11-4-1)28-18-22-30(23-19-28)37(31-24-20-29(21-25-31)27-12-5-2-6-13-27)33-15-9-17-35-36(33)32-14-7-8-16-34(32)38-35;1-3-10-26(11-4-1)28-18-22-30(23-19-28)37(31-24-20-29(21-25-31)27-12-5-2-6-13-27)34-16-9-15-33-32-14-7-8-17-35(32)38-36(33)34;1-3-9-26(10-4-1)28-15-19-30(20-16-28)37(31-21-17-29(18-22-31)27-11-5-2-6-12-27)32-23-24-34-33-13-7-8-14-35(33)38-36(34)25-32/h2*7-9,14-27H,1-6,10-13H2;7-8,13-27H,1-6,9-12H2
InChIKeyQZSXYQZXCWMTCL-UHFFFAOYSA-N
MW1531.23 g/mol
LogP34.39
Rot. Bonds15

About N,N-bis(4-cyclohexylphenyl)dibenzofuran-1-amine;N,N-bis(4-cyclohexylphenyl)dibenzothiophen-3-amine;N,N-bis(4-cyclohexylphenyl)dibenzothiophen-4-amine

N,N-bis(4-cyclohexylphenyl)dibenzofuran-1-amine;N,N-bis(4-cyclohexylphenyl)dibenzothiophen-3-amine;N,N-bis(4-cyclohexylphenyl)dibenzothiophen-4-amine (PubChem CID 160564474) has the molecular formula C108H111N3OS2 and a molecular weight of 1531.23 g/mol. Its IUPAC name is N,N-bis(4-cyclohexylphenyl)dibenzofuran-1-amine;N,N-bis(4-cyclohexylphenyl)dibenzothiophen-3-amine;N,N-bis(4-cyclohexylphenyl)dibenzothiophen-4-amine.

Molecular Properties

Compound NameN,N-bis(4-cyclohexylphenyl)dibenzofuran-1-amine;N,N-bis(4-cyclohexylphenyl)dibenzothiophen-3-amine;N,N-bis(4-cyclohexylphenyl)dibenzothiophen-4-amine
PubChem CID160564474
Molecular FormulaC108H111N3OS2
Molecular Weight1531.23 g/mol
Exact Mass1529.82
IUPAC NameN,N-bis(4-cyclohexylphenyl)dibenzofuran-1-amine;N,N-bis(4-cyclohexylphenyl)dibenzothiophen-3-amine;N,N-bis(4-cyclohexylphenyl)dibenzothiophen-4-amine
SMILESc1ccc2c(c1)oc1cccc(N(c3ccc(C4CCCCC4)cc3)c3ccc(C4CCCCC4)cc3)c12.c1ccc2c(c1)sc1c(N(c3ccc(C4CCCCC4)cc3)c3ccc(C4CCCCC4)cc3)cccc12.c1ccc2c(c1)sc1cc(N(c3ccc(C4CCCCC4)cc3)c3ccc(C4CCCCC4)cc3)ccc12
InChIInChI=1S/C36H37NO.2C36H37NS/c1-3-10-26(11-4-1)28-18-22-30(23-19-28)37(31-24-20-29(21-25-31)27-12-5-2-6-13-27)33-15-9-17-35-36(33)32-14-7-8-16-34(32)38-35;1-3-10-26(11-4-1)28-18-22-30(23-19-28)37(31-24-20-29(21-25-31)27-12-5-2-6-13-27)34-16-9-15-33-32-14-7-8-17-35(32)38-36(33)34;1-3-9-26(10-4-1)28-15-19-30(20-16-28)37(31-21-17-29(18-22-31)27-11-5-2-6-12-27)32-23-24-34-33-13-7-8-14-35(33)38-36(34)25-32/h2*7-9,14-27H,1-6,10-13H2;7-8,13-27H,1-6,9-12H2
InChIKeyQZSXYQZXCWMTCL-UHFFFAOYSA-N
XLogP34.39
TPSA22.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms114
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001531.23
LogP ≤ 534.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N,N-bis(4-cyclohexylphenyl)dibenzofuran-1-amine;N,N-bis(4-cyclohexylphenyl)dibenzothiophen-3-amine;N,N-bis(4-cyclohexylphenyl)dibenzothiophen-4-amine with MolForge

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Related Compounds

N-(7-cyclohexylphenanthren-2-yl)-N-dibenzothiophen-1-yldibenzofuran-3-amine
CID 163627167
1-N-dibenzothiophen-3-yl-1-N,8-N,8-N-triphenyldibenzofuran-1,8-diamine
CID 146573630
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
N-dibenzofuran-3-yl-N-tetraphenylen-2-yldibenzofuran-3-amine;N-dibenzothiophen-3-yl-N-tetraphenylen-2-yldibenzothiophen-3-amine;N-dibenzothiophen-4-yl-N-tetraphenylen-2-yldibenzothiophen-4-amine
CID 162022790
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,N-bis(4-cyclohexylphenyl)dibenzothiophen-4-amine;1-bromo-4-cyclohexylbenzene;dibenzothiophen-4-amine
CID 159308750
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzothiophen-4-ylphenyl)dibenzofuran-3-amine
CID 170300822
N-(4-cyclohexylphenyl)-N-[4-(2,6-diphenylphenyl)phenyl]dibenzothiophen-3-amine
CID 168771794
N-(4-cyclohexylphenyl)-N-[4-(2,3-diphenylphenyl)phenyl]dibenzothiophen-3-amine
CID 168771801
N-dibenzothiophen-3-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-1-amine
CID 163686453
5-N,9-N-bis(4-cyclohexylphenyl)-5-N,9-N-diphenylnaphtho[2,1-b][1]benzothiole-5,9-diamine
CID 90263495
7-N-naphtho[1,2-b][1]benzothiol-4-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine
CID 170410120

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-cyclohexylphenyl)dibenzofuran-1-amine;N,N-bis(4-cyclohexylphenyl)dibenzothiophen-3-amine;N,N-bis(4-cyclohexylphenyl)dibenzothiophen-4-amine?
The IUPAC name of 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) is N,N-bis(4-cyclohexylphenyl)dibenzofuran-1-amine;N,N-bis(4-cyclohexylphenyl)dibenzothiophen-3-amine;N,N-bis(4-cyclohexylphenyl)dibenzothiophen-4-amine.
What is the SMILES notation for N,N-bis(4-cyclohexylphenyl)dibenzofuran-1-amine;N,N-bis(4-cyclohexylphenyl)dibenzothiophen-3-amine;N,N-bis(4-cyclohexylphenyl)dibenzothiophen-4-amine?
The canonical SMILES for N,N-bis(4-cyclohexylphenyl)dibenzofuran-1-amine;N,N-bis(4-cyclohexylphenyl)dibenzothiophen-3-amine;N,N-bis(4-cyclohexylphenyl)dibenzothiophen-4-amine is c1ccc2c(c1)oc1cccc(N(c3ccc(C4CCCCC4)cc3)c3ccc(C4CCCCC4)cc3)c12.c1ccc2c(c1)sc1c(N(c3ccc(C4CCCCC4)cc3)c3ccc(C4CCCCC4)cc3)cccc12.c1ccc2c(c1)sc1cc(N(c3ccc(C4CCCCC4)cc3)c3ccc(C4CCCCC4)cc3)ccc12.
What is the InChIKey of N,N-bis(4-cyclohexylphenyl)dibenzofuran-1-amine;N,N-bis(4-cyclohexylphenyl)dibenzothiophen-3-amine;N,N-bis(4-cyclohexylphenyl)dibenzothiophen-4-amine?
The InChIKey is QZSXYQZXCWMTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H37NO.2C36H37NS/c1-3-10-26(11-4-1)28-18-22-30(23-19-28)37(31-24-20-29(21-25-31)27-12-5-2-6-13-27)33-15-9-17-35-36(33)32-14-7-8-16-34(32)38-35;1-3-10-26(11-4-1)28-18-22-30(23-19-28)37(31-24-20-29(21-25-31)27-12-5-2-6-13-27)34-16-9-15-33-32-14-7-8-17-35(32)38-36(33)34;1-3-9-26(10-4-1)28-15-19-30(20-16-28)37(31-21-17-29(18-22-31)27-11-5-2-6-12-27)32-23-24-34-33-13-7-8-14-35(33)38-36(34)25-32/h2*7-9,14-27H,1-6,10-13H2;7-8,13-27H,1-6,9-12H2.
What are the key properties of N,N-bis(4-cyclohexylphenyl)dibenzofuran-1-amine;N,N-bis(4-cyclohexylphenyl)dibenzothiophen-3-amine;N,N-bis(4-cyclohexylphenyl)dibenzothiophen-4-amine?
N,N-bis(4-cyclohexylphenyl)dibenzofuran-1-amine;N,N-bis(4-cyclohexylphenyl)dibenzothiophen-3-amine;N,N-bis(4-cyclohexylphenyl)dibenzothiophen-4-amine has a molecular weight of 1531.23 g/mol, XLogP of 34.39, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-cyclohexylphenyl)dibenzofuran-1-amine;N,N-bis(4-cyclohexylphenyl)dibenzothiophen-3-amine;N,N-bis(4-cyclohexylphenyl)dibenzothiophen-4-amine is sourced from PubChem (CID 160564474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).