11-benzo[c]carbazol-7-yl-[1]benzofuro[3,2-b]quinoline;buta-1,3-diene;10-[3,5-di(carbazol-9-yl)phenyl]-12-oxa-3-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene;5-methyl-6-methylidenecyclohexa-1,3-diene

C92H63N5O2 — CID 145421854

IUPAC11-benzo[c]carbazol-7-yl-[1]benzofuro[3,2-b]quinoline;buta-1,3-diene;10-[3,5-di(carbazol-9-yl)phenyl]-12-oxa-3-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene;5-methyl-6-methylidenecyclohexa-1,3-diene
SMILESC=C1C=CC=CC1C.C=CC=C.c1ccc2c(c1)ccc1c2c2ccccc2n1-c1c2ccccc2nc2c1oc1ccccc12.c1ccc2c(c1)ccc1c3nc4ccccc4c(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)c3oc21
InChIInChI=1S/C49H29N3O.C31H18N2O.C8H10.C4H6/c1-2-14-34-30(13-1)25-26-40-47-49(53-48(34)40)46(39-19-3-8-20-41(39)50-47)31-27-32(51-42-21-9-4-15-35(42)36-16-5-10-22-43(36)51)29-33(28-31)52-44-23-11-6-17-37(44)38-18-7-12-24-45(38)52;1-2-10-20-19(9-1)17-18-26-28(20)22-12-4-7-15-25(22)33(26)30-21-11-3-6-14-24(21)32-29-23-13-5-8-16-27(23)34-31(29)30;1-7-5-3-4-6-8(7)2;1-3-4-2/h1-29H;1-18H;3-6,8H,1H2,2H3;3-4H,1-2H2
InChIKeyZCUYFNNTVACHLW-UHFFFAOYSA-N
MW1270.55 g/mol
LogP25.20
Rot. Bonds5

About 11-benzo[c]carbazol-7-yl-[1]benzofuro[3,2-b]quinoline;buta-1,3-diene;10-[3,5-di(carbazol-9-yl)phenyl]-12-oxa-3-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene;5-methyl-6-methylidenecyclohexa-1,3-diene

11-benzo[c]carbazol-7-yl-[1]benzofuro[3,2-b]quinoline;buta-1,3-diene;10-[3,5-di(carbazol-9-yl)phenyl]-12-oxa-3-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene;5-methyl-6-methylidenecyclohexa-1,3-diene (PubChem CID 145421854) has the molecular formula C92H63N5O2 and a molecular weight of 1270.55 g/mol. Its IUPAC name is 11-benzo[c]carbazol-7-yl-[1]benzofuro[3,2-b]quinoline;buta-1,3-diene;10-[3,5-di(carbazol-9-yl)phenyl]-12-oxa-3-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene;5-methyl-6-methylidenecyclohexa-1,3-diene.

Molecular Properties

Compound Name11-benzo[c]carbazol-7-yl-[1]benzofuro[3,2-b]quinoline;buta-1,3-diene;10-[3,5-di(carbazol-9-yl)phenyl]-12-oxa-3-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene;5-methyl-6-methylidenecyclohexa-1,3-diene
PubChem CID145421854
Molecular FormulaC92H63N5O2
Molecular Weight1270.55 g/mol
Exact Mass1269.50
IUPAC Name11-benzo[c]carbazol-7-yl-[1]benzofuro[3,2-b]quinoline;buta-1,3-diene;10-[3,5-di(carbazol-9-yl)phenyl]-12-oxa-3-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene;5-methyl-6-methylidenecyclohexa-1,3-diene
SMILESC=C1C=CC=CC1C.C=CC=C.c1ccc2c(c1)ccc1c2c2ccccc2n1-c1c2ccccc2nc2c1oc1ccccc12.c1ccc2c(c1)ccc1c3nc4ccccc4c(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)c3oc21
InChIInChI=1S/C49H29N3O.C31H18N2O.C8H10.C4H6/c1-2-14-34-30(13-1)25-26-40-47-49(53-48(34)40)46(39-19-3-8-20-41(39)50-47)31-27-32(51-42-21-9-4-15-35(42)36-16-5-10-22-43(36)51)29-33(28-31)52-44-23-11-6-17-37(44)38-18-7-12-24-45(38)52;1-2-10-20-19(9-1)17-18-26-28(20)22-12-4-7-15-25(22)33(26)30-21-11-3-6-14-24(21)32-29-23-13-5-8-16-27(23)34-31(29)30;1-7-5-3-4-6-8(7)2;1-3-4-2/h1-29H;1-18H;3-6,8H,1H2,2H3;3-4H,1-2H2
InChIKeyZCUYFNNTVACHLW-UHFFFAOYSA-N
XLogP25.20
TPSA66.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms99
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001270.55
LogP ≤ 525.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 11-benzo[c]carbazol-7-yl-[1]benzofuro[3,2-b]quinoline;buta-1,3-diene;10-[3,5-di(carbazol-9-yl)phenyl]-12-oxa-3-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene;5-methyl-6-methylidenecyclohexa-1,3-diene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11-benzo[c]carbazol-7-yl-[1]benzofuro[3,2-b]quinoline;buta-1,3-diene;10-[3,5-di(carbazol-9-yl)phenyl]-12-oxa-3-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene;5-methyl-6-methylidenecyclohexa-1,3-diene?
The IUPAC name of 11-benzo[c]carbazol-7-yl-[1]benzofuro[3,2-b]quinoline;buta-1,3-diene;10-[3,5-di(carbazol-9-yl)phenyl]-12-oxa-3-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene;5-methyl-6-methylidenecyclohexa-1,3-diene (CID 145421854) is 11-benzo[c]carbazol-7-yl-[1]benzofuro[3,2-b]quinoline;buta-1,3-diene;10-[3,5-di(carbazol-9-yl)phenyl]-12-oxa-3-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene;5-methyl-6-methylidenecyclohexa-1,3-diene.
What is the SMILES notation for 11-benzo[c]carbazol-7-yl-[1]benzofuro[3,2-b]quinoline;buta-1,3-diene;10-[3,5-di(carbazol-9-yl)phenyl]-12-oxa-3-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene;5-methyl-6-methylidenecyclohexa-1,3-diene?
The canonical SMILES for 11-benzo[c]carbazol-7-yl-[1]benzofuro[3,2-b]quinoline;buta-1,3-diene;10-[3,5-di(carbazol-9-yl)phenyl]-12-oxa-3-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene;5-methyl-6-methylidenecyclohexa-1,3-diene is C=C1C=CC=CC1C.C=CC=C.c1ccc2c(c1)ccc1c2c2ccccc2n1-c1c2ccccc2nc2c1oc1ccccc12.c1ccc2c(c1)ccc1c3nc4ccccc4c(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)c3oc21.
What is the InChIKey of 11-benzo[c]carbazol-7-yl-[1]benzofuro[3,2-b]quinoline;buta-1,3-diene;10-[3,5-di(carbazol-9-yl)phenyl]-12-oxa-3-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene;5-methyl-6-methylidenecyclohexa-1,3-diene?
The InChIKey is ZCUYFNNTVACHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29N3O.C31H18N2O.C8H10.C4H6/c1-2-14-34-30(13-1)25-26-40-47-49(53-48(34)40)46(39-19-3-8-20-41(39)50-47)31-27-32(51-42-21-9-4-15-35(42)36-16-5-10-22-43(36)51)29-33(28-31)52-44-23-11-6-17-37(44)38-18-7-12-24-45(38)52;1-2-10-20-19(9-1)17-18-26-28(20)22-12-4-7-15-25(22)33(26)30-21-11-3-6-14-24(21)32-29-23-13-5-8-16-27(23)34-31(29)30;1-7-5-3-4-6-8(7)2;1-3-4-2/h1-29H;1-18H;3-6,8H,1H2,2H3;3-4H,1-2H2.
What are the key properties of 11-benzo[c]carbazol-7-yl-[1]benzofuro[3,2-b]quinoline;buta-1,3-diene;10-[3,5-di(carbazol-9-yl)phenyl]-12-oxa-3-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene;5-methyl-6-methylidenecyclohexa-1,3-diene?
11-benzo[c]carbazol-7-yl-[1]benzofuro[3,2-b]quinoline;buta-1,3-diene;10-[3,5-di(carbazol-9-yl)phenyl]-12-oxa-3-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene;5-methyl-6-methylidenecyclohexa-1,3-diene has a molecular weight of 1270.55 g/mol, XLogP of 25.20, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 11-benzo[c]carbazol-7-yl-[1]benzofuro[3,2-b]quinoline;buta-1,3-diene;10-[3,5-di(carbazol-9-yl)phenyl]-12-oxa-3-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene;5-methyl-6-methylidenecyclohexa-1,3-diene is sourced from PubChem (CID 145421854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).