7,18-bis[4-(9H-carbazol-2-yloxy)phenyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone

C60H32N4O6 — CID 73357738

IUPAC7,18-bis[4-(9H-carbazol-2-yloxy)phenyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
SMILESO=C1c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C(=O)N1c1ccc(Oc2ccc3c(c2)[nH]c2ccccc23)cc1)c64)C(=O)N(c1ccc(Oc2ccc3c(c2)[nH]c2ccccc23)cc1)C5=O
InChIInChI=1S/C60H32N4O6/c65-57-45-25-21-41-43-23-27-47-56-48(60(68)64(59(47)67)32-11-15-34(16-12-32)70-36-18-20-40-38-6-2-4-8-50(38)62-52(40)30-36)28-24-44(54(43)56)42-22-26-46(55(45)53(41)42)58(66)63(57)31-9-13-33(14-10-31)69-35-17-19-39-37-5-1-3-7-49(37)61-51(39)29-35/h1-30,61-62H
InChIKeyKTUGKCBZYJZSHM-UHFFFAOYSA-N
MW904.94 g/mol
LogP14.19
Rot. Bonds6

About 7,18-bis[4-(9H-carbazol-2-yloxy)phenyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone

7,18-bis[4-(9H-carbazol-2-yloxy)phenyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone (PubChem CID 73357738) has the molecular formula C60H32N4O6 and a molecular weight of 904.94 g/mol. Its IUPAC name is 7,18-bis[4-(9H-carbazol-2-yloxy)phenyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone.

Molecular Properties

Compound Name7,18-bis[4-(9H-carbazol-2-yloxy)phenyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
PubChem CID73357738
Molecular FormulaC60H32N4O6
Molecular Weight904.94 g/mol
Exact Mass904.23
IUPAC Name7,18-bis[4-(9H-carbazol-2-yloxy)phenyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
SMILESO=C1c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C(=O)N1c1ccc(Oc2ccc3c(c2)[nH]c2ccccc23)cc1)c64)C(=O)N(c1ccc(Oc2ccc3c(c2)[nH]c2ccccc23)cc1)C5=O
InChIInChI=1S/C60H32N4O6/c65-57-45-25-21-41-43-23-27-47-56-48(60(68)64(59(47)67)32-11-15-34(16-12-32)70-36-18-20-40-38-6-2-4-8-50(38)62-52(40)30-36)28-24-44(54(43)56)42-22-26-46(55(45)53(41)42)58(66)63(57)31-9-13-33(14-10-31)69-35-17-19-39-37-5-1-3-7-49(37)61-51(39)29-35/h1-30,61-62H
InChIKeyKTUGKCBZYJZSHM-UHFFFAOYSA-N
XLogP14.19
TPSA124.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500904.94
LogP ≤ 514.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 7,18-bis[4-(9H-carbazol-2-yloxy)phenyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7,18-bis[4-(9H-carbazol-2-yloxy)phenyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone?
The IUPAC name of 7,18-bis[4-(9H-carbazol-2-yloxy)phenyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone (CID 73357738) is 7,18-bis[4-(9H-carbazol-2-yloxy)phenyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone.
What is the SMILES notation for 7,18-bis[4-(9H-carbazol-2-yloxy)phenyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone?
The canonical SMILES for 7,18-bis[4-(9H-carbazol-2-yloxy)phenyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone is O=C1c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C(=O)N1c1ccc(Oc2ccc3c(c2)[nH]c2ccccc23)cc1)c64)C(=O)N(c1ccc(Oc2ccc3c(c2)[nH]c2ccccc23)cc1)C5=O.
What is the InChIKey of 7,18-bis[4-(9H-carbazol-2-yloxy)phenyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone?
The InChIKey is KTUGKCBZYJZSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H32N4O6/c65-57-45-25-21-41-43-23-27-47-56-48(60(68)64(59(47)67)32-11-15-34(16-12-32)70-36-18-20-40-38-6-2-4-8-50(38)62-52(40)30-36)28-24-44(54(43)56)42-22-26-46(55(45)53(41)42)58(66)63(57)31-9-13-33(14-10-31)69-35-17-19-39-37-5-1-3-7-49(37)61-51(39)29-35/h1-30,61-62H.
What are the key properties of 7,18-bis[4-(9H-carbazol-2-yloxy)phenyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone?
7,18-bis[4-(9H-carbazol-2-yloxy)phenyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone has a molecular weight of 904.94 g/mol, XLogP of 14.19, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,18-bis[4-(9H-carbazol-2-yloxy)phenyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone is sourced from PubChem (CID 73357738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).