7,17-di(carbazol-9-yl)-10,10,20,20-tetramethyl-2-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene

C47H35N3 — CID 163866831

IUPAC7,17-di(carbazol-9-yl)-10,10,20,20-tetramethyl-2-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene
SMILESCC1(C)c2cc(-n3c4ccccc4c4ccccc43)ccc2-c2nc3c(cc21)-c1ccc(-n2c4ccccc4c4ccccc42)cc1C3(C)C
InChIInChI=1S/C47H35N3/c1-46(2)38-26-29(50-42-19-11-7-15-33(42)34-16-8-12-20-43(34)50)22-24-35(38)44-39(46)27-36-30-23-21-28(25-37(30)47(3,4)45(36)48-44)49-40-17-9-5-13-31(40)32-14-6-10-18-41(32)49/h5-27H,1-4H3
InChIKeyPHIYVVFHRRNQQU-UHFFFAOYSA-N
MW641.82 g/mol
LogP11.89
Rot. Bonds2

About 7,17-di(carbazol-9-yl)-10,10,20,20-tetramethyl-2-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene

7,17-di(carbazol-9-yl)-10,10,20,20-tetramethyl-2-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene (PubChem CID 163866831) has the molecular formula C47H35N3 and a molecular weight of 641.82 g/mol. Its IUPAC name is 7,17-di(carbazol-9-yl)-10,10,20,20-tetramethyl-2-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene.

Molecular Properties

Compound Name7,17-di(carbazol-9-yl)-10,10,20,20-tetramethyl-2-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene
PubChem CID163866831
Molecular FormulaC47H35N3
Molecular Weight641.82 g/mol
Exact Mass641.28
IUPAC Name7,17-di(carbazol-9-yl)-10,10,20,20-tetramethyl-2-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene
SMILESCC1(C)c2cc(-n3c4ccccc4c4ccccc43)ccc2-c2nc3c(cc21)-c1ccc(-n2c4ccccc4c4ccccc42)cc1C3(C)C
InChIInChI=1S/C47H35N3/c1-46(2)38-26-29(50-42-19-11-7-15-33(42)34-16-8-12-20-43(34)50)22-24-35(38)44-39(46)27-36-30-23-21-28(25-37(30)47(3,4)45(36)48-44)49-40-17-9-5-13-31(40)32-14-6-10-18-41(32)49/h5-27H,1-4H3
InChIKeyPHIYVVFHRRNQQU-UHFFFAOYSA-N
XLogP11.89
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.82
LogP ≤ 511.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7,17-di(carbazol-9-yl)-10,10,20,20-tetramethyl-2-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 7,17-di(carbazol-9-yl)-10,10,20,20-tetramethyl-2-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene?
The IUPAC name of 7,17-di(carbazol-9-yl)-10,10,20,20-tetramethyl-2-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene (CID 163866831) is 7,17-di(carbazol-9-yl)-10,10,20,20-tetramethyl-2-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene.
What is the SMILES notation for 7,17-di(carbazol-9-yl)-10,10,20,20-tetramethyl-2-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene?
The canonical SMILES for 7,17-di(carbazol-9-yl)-10,10,20,20-tetramethyl-2-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene is CC1(C)c2cc(-n3c4ccccc4c4ccccc43)ccc2-c2nc3c(cc21)-c1ccc(-n2c4ccccc4c4ccccc42)cc1C3(C)C.
What is the InChIKey of 7,17-di(carbazol-9-yl)-10,10,20,20-tetramethyl-2-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene?
The InChIKey is PHIYVVFHRRNQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H35N3/c1-46(2)38-26-29(50-42-19-11-7-15-33(42)34-16-8-12-20-43(34)50)22-24-35(38)44-39(46)27-36-30-23-21-28(25-37(30)47(3,4)45(36)48-44)49-40-17-9-5-13-31(40)32-14-6-10-18-41(32)49/h5-27H,1-4H3.
What are the key properties of 7,17-di(carbazol-9-yl)-10,10,20,20-tetramethyl-2-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene?
7,17-di(carbazol-9-yl)-10,10,20,20-tetramethyl-2-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene has a molecular weight of 641.82 g/mol, XLogP of 11.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,17-di(carbazol-9-yl)-10,10,20,20-tetramethyl-2-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene is sourced from PubChem (CID 163866831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).