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

C50H31NOS — CID 90263760

IUPAC6-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
SMILESc1ccc(-c2cccc(N(c3cc4sc5c6ccccc6ccc5c4c4ccccc34)c3cccc4c3oc3c(-c5ccccc5)cccc34)c2)cc1
InChIInChI=1S/C50H31NOS/c1-3-14-32(15-4-1)35-19-11-20-36(30-35)51(44-27-13-26-42-41-25-12-24-37(48(41)52-49(42)44)33-16-5-2-6-17-33)45-31-46-47(40-23-10-9-22-39(40)45)43-29-28-34-18-7-8-21-38(34)50(43)53-46/h1-31H
InChIKeyVHYCXKWBSABDOI-UHFFFAOYSA-N
MW693.87 g/mol
LogP15.06
Rot. Bonds5

About 6-phenyl-N-(3-phenylphenyl)-N-(12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl)dibenzofuran-4-amine

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 (PubChem CID 90263760) 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[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl)dibenzofuran-4-amine.

Molecular Properties

Compound Name6-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
PubChem CID90263760
Molecular FormulaC50H31NOS
Molecular Weight693.87 g/mol
Exact Mass693.21
IUPAC Name6-phenyl-N-(3-phenylphenyl)-N-(12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl)dibenzofuran-4-amine
SMILESc1ccc(-c2cccc(N(c3cc4sc5c6ccccc6ccc5c4c4ccccc34)c3cccc4c3oc3c(-c5ccccc5)cccc34)c2)cc1
InChIInChI=1S/C50H31NOS/c1-3-14-32(15-4-1)35-19-11-20-36(30-35)51(44-27-13-26-42-41-25-12-24-37(48(41)52-49(42)44)33-16-5-2-6-17-33)45-31-46-47(40-23-10-9-22-39(40)45)43-29-28-34-18-7-8-21-38(34)50(43)53-46/h1-31H
InChIKeyVHYCXKWBSABDOI-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[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl)dibenzofuran-4-amine with MolForge

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Related Compounds

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
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
9-N-phenyl-9-N,20-N-bis(2-phenylphenyl)-20-N-[4-[3-(3-phenyl-N-[20-(N-(3-phenylphenyl)anilino)-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]anilino)phenyl]phenyl]-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine
CID 146527034
N-(4-naphthalen-1-ylphenyl)-6-phenyl-N-(7-phenylnaphthalen-1-yl)dibenzofuran-4-amine;N-(4-naphthalen-1-ylphenyl)-6-phenyl-N-(7-phenylnaphthalen-1-yl)dibenzothiophen-4-amine;6-phenyl-N-(6-phenyldibenzofuran-4-yl)-N-[4-(6-phenylnaphthalen-1-yl)phenyl]dibenzofuran-4-amine;6-phenyl-N-(6-phenyldibenzothiophen-4-yl)-N-[4-(6-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 158016465
N-(4-dibenzofuran-4-ylphenyl)-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 168803987
N-(4-phenanthren-2-ylphenyl)-10-phenyl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 167144378
N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-4-(3-phenylphenyl)aniline
CID 118616110
6-N,18-N-bis(6-phenyldibenzofuran-4-yl)-6-N,18-N-bis(3-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine
CID 90263358
N,N-diphenyl-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-amine
CID 90263727
N-(4-naphtho[1,2-b][1]benzothiol-8-ylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 118616293
N-(7-dibenzothiophen-4-ylphenanthren-2-yl)-N-(4-naphthalen-1-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167396362
N,N-bis(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-3-(3-phenylphenyl)aniline
CID 170272186

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2cccc(N(c3cc4sc5c6ccccc6ccc5c4c4ccccc34)c3cccc4c3oc3c(-c5ccccc5)cccc34)c2)cc1.
What is the InChIKey of 6-phenyl-N-(3-phenylphenyl)-N-(12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl)dibenzofuran-4-amine?
The InChIKey is VHYCXKWBSABDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31NOS/c1-3-14-32(15-4-1)35-19-11-20-36(30-35)51(44-27-13-26-42-41-25-12-24-37(48(41)52-49(42)44)33-16-5-2-6-17-33)45-31-46-47(40-23-10-9-22-39(40)45)43-29-28-34-18-7-8-21-38(34)50(43)53-46/h1-31H.
What are the key properties of 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?
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 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[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl)dibenzofuran-4-amine is sourced from PubChem (CID 90263760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).