7-N,17-N-bis(4-phenylphenyl)-7-N,17-N-bis(2-phenyl-4-propan-2-ylphenyl)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine

C74H58N2O — CID 168753176

IUPAC7-N,17-N-bis(4-phenylphenyl)-7-N,17-N-bis(2-phenyl-4-propan-2-ylphenyl)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine
SMILESCC(C)c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc3cc4c(cc3c2)oc2cc3cc(N(c5ccc(-c6ccccc6)cc5)c5ccc(C(C)C)cc5-c5ccccc5)ccc3cc24)c(-c2ccccc2)c1
InChIInChI=1S/C74H58N2O/c1-49(2)57-31-39-71(67(43-57)55-21-13-7-14-22-55)75(63-33-25-53(26-34-63)51-17-9-5-10-18-51)65-37-29-59-45-69-70-46-60-30-38-66(42-62(60)48-74(70)77-73(69)47-61(59)41-65)76(64-35-27-54(28-36-64)52-19-11-6-12-20-52)72-40-32-58(50(3)4)44-68(72)56-23-15-8-16-24-56/h5-50H,1-4H3
InChIKeyOCMSPSZGHZMVRF-UHFFFAOYSA-N
MW991.29 g/mol
LogP21.75
Rot. Bonds12

About 7-N,17-N-bis(4-phenylphenyl)-7-N,17-N-bis(2-phenyl-4-propan-2-ylphenyl)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine

7-N,17-N-bis(4-phenylphenyl)-7-N,17-N-bis(2-phenyl-4-propan-2-ylphenyl)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine (PubChem CID 168753176) has the molecular formula C74H58N2O and a molecular weight of 991.29 g/mol. Its IUPAC name is 7-N,17-N-bis(4-phenylphenyl)-7-N,17-N-bis(2-phenyl-4-propan-2-ylphenyl)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine.

Molecular Properties

Compound Name7-N,17-N-bis(4-phenylphenyl)-7-N,17-N-bis(2-phenyl-4-propan-2-ylphenyl)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine
PubChem CID168753176
Molecular FormulaC74H58N2O
Molecular Weight991.29 g/mol
Exact Mass990.45
IUPAC Name7-N,17-N-bis(4-phenylphenyl)-7-N,17-N-bis(2-phenyl-4-propan-2-ylphenyl)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine
SMILESCC(C)c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc3cc4c(cc3c2)oc2cc3cc(N(c5ccc(-c6ccccc6)cc5)c5ccc(C(C)C)cc5-c5ccccc5)ccc3cc24)c(-c2ccccc2)c1
InChIInChI=1S/C74H58N2O/c1-49(2)57-31-39-71(67(43-57)55-21-13-7-14-22-55)75(63-33-25-53(26-34-63)51-17-9-5-10-18-51)65-37-29-59-45-69-70-46-60-30-38-66(42-62(60)48-74(70)77-73(69)47-61(59)41-65)76(64-35-27-54(28-36-64)52-19-11-6-12-20-52)72-40-32-58(50(3)4)44-68(72)56-23-15-8-16-24-56/h5-50H,1-4H3
InChIKeyOCMSPSZGHZMVRF-UHFFFAOYSA-N
XLogP21.75
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500991.29
LogP ≤ 521.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-N,17-N-bis(4-phenylphenyl)-7-N,17-N-bis(2-phenyl-4-propan-2-ylphenyl)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine with MolForge

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Related Compounds

17-N,17-N-bis(2-phenylphenyl)-7-N-(4-phenylphenyl)-7-N-[2-(4-propan-2-ylphenyl)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-decaene-7,17-diamine
CID 168753218
7-N,17-N-bis(2-phenylphenyl)-7-N-(4-phenylphenyl)-17-N-[2-(4-propan-2-ylphenyl)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-decaene-7,17-diamine
CID 168753234
7-N,17-N-bis(2-phenylphenyl)-7-N,17-N-bis(4-propan-2-ylphenyl)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine
CID 168753231
9-N,23-N-bis(2,4-diphenylphenyl)-9-N,23-N-diphenyl-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 155360309
7-N-(4-tert-butylphenyl)-17-N-(2-phenylphenyl)-7-N,17-N-bis[2-(4-propan-2-ylphenyl)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-decaene-7,17-diamine
CID 168753370
7-N,17-N,17-N-tris(2-phenylphenyl)-7-N-(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine
CID 168753210
7-N-[2-(4-tert-butylphenyl)phenyl]-7-N-phenyl-17-N-(4-propan-2-ylphenyl)-17-N-[2-(4-propan-2-ylphenyl)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-decaene-7,17-diamine
CID 168753364
7-N,17-N-bis(4-tert-butylphenyl)-17-N-[2-(4-tert-butylphenyl)phenyl]-7-N-[2-(4-propan-2-ylphenyl)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-decaene-7,17-diamine
CID 168753289
17-N-[2-(4-tert-butylphenyl)phenyl]-7-N,17-N-bis(3-phenylphenyl)-7-N-[2-(4-propan-2-ylphenyl)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-decaene-7,17-diamine
CID 168753143
17-N-[2-(4-tert-butylphenyl)phenyl]-17-N-(2-phenylphenyl)-7-N-(3-phenylphenyl)-7-N-[2-(4-propan-2-ylphenyl)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-decaene-7,17-diamine
CID 168753253
9-N,23-N-diphenyl-9-N,23-N-bis(4-propan-2-ylphenyl)-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 146497283
8-N,8-N,23-N,23-N-tetrakis(2,4-diphenylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine
CID 155360181

Frequently Asked Questions

What is the IUPAC name of 7-N,17-N-bis(4-phenylphenyl)-7-N,17-N-bis(2-phenyl-4-propan-2-ylphenyl)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine?
The IUPAC name of 7-N,17-N-bis(4-phenylphenyl)-7-N,17-N-bis(2-phenyl-4-propan-2-ylphenyl)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine (CID 168753176) is 7-N,17-N-bis(4-phenylphenyl)-7-N,17-N-bis(2-phenyl-4-propan-2-ylphenyl)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine.
What is the SMILES notation for 7-N,17-N-bis(4-phenylphenyl)-7-N,17-N-bis(2-phenyl-4-propan-2-ylphenyl)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine?
The canonical SMILES for 7-N,17-N-bis(4-phenylphenyl)-7-N,17-N-bis(2-phenyl-4-propan-2-ylphenyl)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine is CC(C)c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc3cc4c(cc3c2)oc2cc3cc(N(c5ccc(-c6ccccc6)cc5)c5ccc(C(C)C)cc5-c5ccccc5)ccc3cc24)c(-c2ccccc2)c1.
What is the InChIKey of 7-N,17-N-bis(4-phenylphenyl)-7-N,17-N-bis(2-phenyl-4-propan-2-ylphenyl)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine?
The InChIKey is OCMSPSZGHZMVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H58N2O/c1-49(2)57-31-39-71(67(43-57)55-21-13-7-14-22-55)75(63-33-25-53(26-34-63)51-17-9-5-10-18-51)65-37-29-59-45-69-70-46-60-30-38-66(42-62(60)48-74(70)77-73(69)47-61(59)41-65)76(64-35-27-54(28-36-64)52-19-11-6-12-20-52)72-40-32-58(50(3)4)44-68(72)56-23-15-8-16-24-56/h5-50H,1-4H3.
What are the key properties of 7-N,17-N-bis(4-phenylphenyl)-7-N,17-N-bis(2-phenyl-4-propan-2-ylphenyl)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine?
7-N,17-N-bis(4-phenylphenyl)-7-N,17-N-bis(2-phenyl-4-propan-2-ylphenyl)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine has a molecular weight of 991.29 g/mol, XLogP of 21.75, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N,17-N-bis(4-phenylphenyl)-7-N,17-N-bis(2-phenyl-4-propan-2-ylphenyl)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine is sourced from PubChem (CID 168753176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).