11-(9-phenyl-1,2-dihydrocarbazol-3-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,15,17,19-octaene

C36H26N2O2 — CID 123579854

IUPAC11-(9-phenyl-1,2-dihydrocarbazol-3-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,15,17,19-octaene
SMILESC1=C(C2=CC3=C4C(C2)Oc2ccccc2N4c2ccccc2O3)CCc2c1c1ccccc1n2-c1ccccc1
InChIInChI=1S/C36H26N2O2/c1-2-10-25(11-3-1)37-28-13-5-4-12-26(28)27-20-23(18-19-29(27)37)24-21-34-36-35(22-24)40-33-17-9-7-15-31(33)38(36)30-14-6-8-16-32(30)39-34/h1-17,20-21,35H,18-19,22H2
InChIKeyASFZHZBYNOKAKB-UHFFFAOYSA-N
MW518.62 g/mol
LogP8.49
Rot. Bonds2

About 11-(9-phenyl-1,2-dihydrocarbazol-3-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,15,17,19-octaene

11-(9-phenyl-1,2-dihydrocarbazol-3-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,15,17,19-octaene (PubChem CID 123579854) has the molecular formula C36H26N2O2 and a molecular weight of 518.62 g/mol. Its IUPAC name is 11-(9-phenyl-1,2-dihydrocarbazol-3-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,15,17,19-octaene.

Molecular Properties

Compound Name11-(9-phenyl-1,2-dihydrocarbazol-3-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,15,17,19-octaene
PubChem CID123579854
Molecular FormulaC36H26N2O2
Molecular Weight518.62 g/mol
Exact Mass518.20
IUPAC Name11-(9-phenyl-1,2-dihydrocarbazol-3-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,15,17,19-octaene
SMILESC1=C(C2=CC3=C4C(C2)Oc2ccccc2N4c2ccccc2O3)CCc2c1c1ccccc1n2-c1ccccc1
InChIInChI=1S/C36H26N2O2/c1-2-10-25(11-3-1)37-28-13-5-4-12-26(28)27-20-23(18-19-29(27)37)24-21-34-36-35(22-24)40-33-17-9-7-15-31(33)38(36)30-14-6-8-16-32(30)39-34/h1-17,20-21,35H,18-19,22H2
InChIKeyASFZHZBYNOKAKB-UHFFFAOYSA-N
XLogP8.49
TPSA26.63 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.62
LogP ≤ 58.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 11-(9-phenyl-1,2-dihydrocarbazol-3-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,15,17,19-octaene with MolForge

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Related Compounds

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3-phenyl-9-[8-(3-phenyl-1,2-dihydrocarbazol-9-yl)dibenzofuran-4-yl]carbazole
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11-[3-[9-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)carbazol-3-yl]carbazol-9-yl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;11-[3-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 158285187
3-methyl-9-phenylcarbazole;9-(4-methylphenyl)carbazole;3-methyl-10-phenylphenoxazine;10-(4-methylphenyl)phenoxazine
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N-[4-(9-phenyl-1,2-dihydrocarbazol-3-yl)phenyl]-N-(7,9,9-trimethyl-1,4,4a,5,6,7,8,9a-octahydrofluoren-2-yl)-1,2-dihydropyridin-6-amine
CID 166943257

Frequently Asked Questions

What is the IUPAC name of 11-(9-phenyl-1,2-dihydrocarbazol-3-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,15,17,19-octaene?
The IUPAC name of 11-(9-phenyl-1,2-dihydrocarbazol-3-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,15,17,19-octaene (CID 123579854) is 11-(9-phenyl-1,2-dihydrocarbazol-3-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,15,17,19-octaene.
What is the SMILES notation for 11-(9-phenyl-1,2-dihydrocarbazol-3-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,15,17,19-octaene?
The canonical SMILES for 11-(9-phenyl-1,2-dihydrocarbazol-3-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,15,17,19-octaene is C1=C(C2=CC3=C4C(C2)Oc2ccccc2N4c2ccccc2O3)CCc2c1c1ccccc1n2-c1ccccc1.
What is the InChIKey of 11-(9-phenyl-1,2-dihydrocarbazol-3-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,15,17,19-octaene?
The InChIKey is ASFZHZBYNOKAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26N2O2/c1-2-10-25(11-3-1)37-28-13-5-4-12-26(28)27-20-23(18-19-29(27)37)24-21-34-36-35(22-24)40-33-17-9-7-15-31(33)38(36)30-14-6-8-16-32(30)39-34/h1-17,20-21,35H,18-19,22H2.
What are the key properties of 11-(9-phenyl-1,2-dihydrocarbazol-3-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,15,17,19-octaene?
11-(9-phenyl-1,2-dihydrocarbazol-3-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,15,17,19-octaene has a molecular weight of 518.62 g/mol, XLogP of 8.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(9-phenyl-1,2-dihydrocarbazol-3-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,15,17,19-octaene is sourced from PubChem (CID 123579854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).