6-phenyl-N-(3-phenylphenyl)-N-(12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-yl)dibenzofuran-4-amine

C50H31NOS — CID 90263632

IUPAC6-phenyl-N-(3-phenylphenyl)-N-(12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-yl)dibenzofuran-4-amine
SMILESc1ccc(-c2cccc(N(c3cc4sc5cc6ccccc6cc5c4c4ccccc34)c3cccc4c3oc3c(-c5ccccc5)cccc34)c2)cc1
InChIInChI=1S/C50H31NOS/c1-3-14-32(15-4-1)34-20-11-21-37(28-34)51(44-27-13-26-42-41-25-12-24-38(49(41)52-50(42)44)33-16-5-2-6-17-33)45-31-47-48(40-23-10-9-22-39(40)45)43-29-35-18-7-8-19-36(35)30-46(43)53-47/h1-31H
InChIKeyZDKDPYVSTSEWGR-UHFFFAOYSA-N
MW693.87 g/mol
LogP15.06
Rot. Bonds5

About 6-phenyl-N-(3-phenylphenyl)-N-(12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-yl)dibenzofuran-4-amine

6-phenyl-N-(3-phenylphenyl)-N-(12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-yl)dibenzofuran-4-amine (PubChem CID 90263632) has the molecular formula C50H31NOS and a molecular weight of 693.87 g/mol. Its IUPAC name is 6-phenyl-N-(3-phenylphenyl)-N-(12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-yl)dibenzofuran-4-amine.

Molecular Properties

Compound Name6-phenyl-N-(3-phenylphenyl)-N-(12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-yl)dibenzofuran-4-amine
PubChem CID90263632
Molecular FormulaC50H31NOS
Molecular Weight693.87 g/mol
Exact Mass693.21
IUPAC Name6-phenyl-N-(3-phenylphenyl)-N-(12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-yl)dibenzofuran-4-amine
SMILESc1ccc(-c2cccc(N(c3cc4sc5cc6ccccc6cc5c4c4ccccc34)c3cccc4c3oc3c(-c5ccccc5)cccc34)c2)cc1
InChIInChI=1S/C50H31NOS/c1-3-14-32(15-4-1)34-20-11-21-37(28-34)51(44-27-13-26-42-41-25-12-24-38(49(41)52-50(42)44)33-16-5-2-6-17-33)45-31-47-48(40-23-10-9-22-39(40)45)43-29-35-18-7-8-19-36(35)30-46(43)53-47/h1-31H
InChIKeyZDKDPYVSTSEWGR-UHFFFAOYSA-N
XLogP15.06
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.87
LogP ≤ 515.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-phenyl-N-(3-phenylphenyl)-N-(12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-yl)dibenzofuran-4-amine with MolForge

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Related Compounds

N-(3-methylphenyl)-6-phenyl-N-(12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-yl)dibenzofuran-4-amine
CID 90263631
6-phenyl-N-(3-phenylphenyl)-N-(12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl)dibenzofuran-4-amine
CID 90263760
N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]naphtho[2,3-b][1]benzothiol-1-amine
CID 167403092
N-(4-dibenzothiophen-3-ylphenyl)-6-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine
CID 167397227
N-(4-dibenzothiophen-3-ylphenyl)-N-(2-naphthalen-2-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167397552
N-dibenzothiophen-2-yl-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167396444
N-dibenzofuran-4-yl-6-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine
CID 167397315
N-dibenzothiophen-2-yl-6-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 167396326
N-naphthalen-2-yl-N-phenyl-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine
CID 90263616
6-[4-(2-naphthalen-2-ylphenyl)phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 134433049
9-N,23-N-diphenyl-9-N,23-N-bis(6-phenyldibenzofuran-4-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine
CID 155362515
N-(4-dibenzothiophen-2-ylphenyl)-6-phenyl-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 167397670

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-N-(3-phenylphenyl)-N-(12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-yl)dibenzofuran-4-amine?
The IUPAC name of 6-phenyl-N-(3-phenylphenyl)-N-(12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-yl)dibenzofuran-4-amine (CID 90263632) is 6-phenyl-N-(3-phenylphenyl)-N-(12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-yl)dibenzofuran-4-amine.
What is the SMILES notation for 6-phenyl-N-(3-phenylphenyl)-N-(12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-yl)dibenzofuran-4-amine?
The canonical SMILES for 6-phenyl-N-(3-phenylphenyl)-N-(12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-yl)dibenzofuran-4-amine is c1ccc(-c2cccc(N(c3cc4sc5cc6ccccc6cc5c4c4ccccc34)c3cccc4c3oc3c(-c5ccccc5)cccc34)c2)cc1.
What is the InChIKey of 6-phenyl-N-(3-phenylphenyl)-N-(12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-yl)dibenzofuran-4-amine?
The InChIKey is ZDKDPYVSTSEWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31NOS/c1-3-14-32(15-4-1)34-20-11-21-37(28-34)51(44-27-13-26-42-41-25-12-24-38(49(41)52-50(42)44)33-16-5-2-6-17-33)45-31-47-48(40-23-10-9-22-39(40)45)43-29-35-18-7-8-19-36(35)30-46(43)53-47/h1-31H.
What are the key properties of 6-phenyl-N-(3-phenylphenyl)-N-(12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-yl)dibenzofuran-4-amine?
6-phenyl-N-(3-phenylphenyl)-N-(12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-yl)dibenzofuran-4-amine has a molecular weight of 693.87 g/mol, XLogP of 15.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-N-(3-phenylphenyl)-N-(12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-yl)dibenzofuran-4-amine is sourced from PubChem (CID 90263632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).