19-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-23-oxa-15,25-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17(22),18,20,24-dodecaene

C58H34N4O — CID 139337205

IUPAC19-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-23-oxa-15,25-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17(22),18,20,24-dodecaene
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6cccc(-c7ccc8oc9nc%10c%11ccccc%11c%11ccccc%11c%10nc9c8c7)c6)c5c4)ccc32)cc1
InChIInChI=1S/C58H34N4O/c1-2-14-39(15-3-1)61-51-24-11-9-20-44(51)48-32-36(26-29-52(48)61)38-25-28-45-43-19-8-10-23-50(43)62(53(45)34-38)40-16-12-13-35(31-40)37-27-30-54-49(33-37)57-58(63-54)60-56-47-22-7-5-18-42(47)41-17-4-6-21-46(41)55(56)59-57/h1-34H
InChIKeyIAFQVTBYJBHDDR-UHFFFAOYSA-N
MW802.94 g/mol
LogP15.36
Rot. Bonds4

About 19-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-23-oxa-15,25-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17(22),18,20,24-dodecaene

19-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-23-oxa-15,25-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17(22),18,20,24-dodecaene (PubChem CID 139337205) has the molecular formula C58H34N4O and a molecular weight of 802.94 g/mol. Its IUPAC name is 19-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-23-oxa-15,25-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17(22),18,20,24-dodecaene.

Molecular Properties

Compound Name19-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-23-oxa-15,25-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17(22),18,20,24-dodecaene
PubChem CID139337205
Molecular FormulaC58H34N4O
Molecular Weight802.94 g/mol
Exact Mass802.27
IUPAC Name19-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-23-oxa-15,25-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17(22),18,20,24-dodecaene
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6cccc(-c7ccc8oc9nc%10c%11ccccc%11c%11ccccc%11c%10nc9c8c7)c6)c5c4)ccc32)cc1
InChIInChI=1S/C58H34N4O/c1-2-14-39(15-3-1)61-51-24-11-9-20-44(51)48-32-36(26-29-52(48)61)38-25-28-45-43-19-8-10-23-50(43)62(53(45)34-38)40-16-12-13-35(31-40)37-27-30-54-49(33-37)57-58(63-54)60-56-47-22-7-5-18-42(47)41-17-4-6-21-46(41)55(56)59-57/h1-34H
InChIKeyIAFQVTBYJBHDDR-UHFFFAOYSA-N
XLogP15.36
TPSA48.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500802.94
LogP ≤ 515.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 19-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-23-oxa-15,25-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17(22),18,20,24-dodecaene with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 19-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-23-oxa-15,25-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17(22),18,20,24-dodecaene?
The IUPAC name of 19-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-23-oxa-15,25-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17(22),18,20,24-dodecaene (CID 139337205) is 19-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-23-oxa-15,25-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17(22),18,20,24-dodecaene.
What is the SMILES notation for 19-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-23-oxa-15,25-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17(22),18,20,24-dodecaene?
The canonical SMILES for 19-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-23-oxa-15,25-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17(22),18,20,24-dodecaene is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6cccc(-c7ccc8oc9nc%10c%11ccccc%11c%11ccccc%11c%10nc9c8c7)c6)c5c4)ccc32)cc1.
What is the InChIKey of 19-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-23-oxa-15,25-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17(22),18,20,24-dodecaene?
The InChIKey is IAFQVTBYJBHDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H34N4O/c1-2-14-39(15-3-1)61-51-24-11-9-20-44(51)48-32-36(26-29-52(48)61)38-25-28-45-43-19-8-10-23-50(43)62(53(45)34-38)40-16-12-13-35(31-40)37-27-30-54-49(33-37)57-58(63-54)60-56-47-22-7-5-18-42(47)41-17-4-6-21-46(41)55(56)59-57/h1-34H.
What are the key properties of 19-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-23-oxa-15,25-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17(22),18,20,24-dodecaene?
19-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-23-oxa-15,25-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17(22),18,20,24-dodecaene has a molecular weight of 802.94 g/mol, XLogP of 15.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 19-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-23-oxa-15,25-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17(22),18,20,24-dodecaene is sourced from PubChem (CID 139337205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).