19-[10-(19-azapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-19-yl)anthracen-9-yl]-19-azapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaene

C50H28N2 — CID 88951403

IUPAC19-[10-(19-azapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-19-yl)anthracen-9-yl]-19-azapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaene
SMILESc1ccc2c(-n3c4cccc5c6ccccc6c6cccc3c6c54)c3ccccc3c(-n3c4cccc5c6ccccc6c6cccc3c6c54)c2c1
InChIInChI=1S/C50H28N2/c1-2-14-30-29(13-1)33-21-9-25-41-45(33)46-34(30)22-10-26-42(46)51(41)49-37-17-5-7-19-39(37)50(40-20-8-6-18-38(40)49)52-43-27-11-23-35-31-15-3-4-16-32(31)36-24-12-28-44(52)48(36)47(35)43/h1-28H
InChIKeyWTRDJOSVYPQHRO-UHFFFAOYSA-N
MW656.79 g/mol
LogP13.68
Rot. Bonds2

About 19-[10-(19-azapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-19-yl)anthracen-9-yl]-19-azapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaene

19-[10-(19-azapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-19-yl)anthracen-9-yl]-19-azapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaene (PubChem CID 88951403) has the molecular formula C50H28N2 and a molecular weight of 656.79 g/mol. Its IUPAC name is 19-[10-(19-azapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-19-yl)anthracen-9-yl]-19-azapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaene.

Molecular Properties

Compound Name19-[10-(19-azapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-19-yl)anthracen-9-yl]-19-azapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaene
PubChem CID88951403
Molecular FormulaC50H28N2
Molecular Weight656.79 g/mol
Exact Mass656.23
IUPAC Name19-[10-(19-azapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-19-yl)anthracen-9-yl]-19-azapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaene
SMILESc1ccc2c(-n3c4cccc5c6ccccc6c6cccc3c6c54)c3ccccc3c(-n3c4cccc5c6ccccc6c6cccc3c6c54)c2c1
InChIInChI=1S/C50H28N2/c1-2-14-30-29(13-1)33-21-9-25-41-45(33)46-34(30)22-10-26-42(46)51(41)49-37-17-5-7-19-39(37)50(40-20-8-6-18-38(40)49)52-43-27-11-23-35-31-15-3-4-16-32(31)36-24-12-28-44(52)48(36)47(35)43/h1-28H
InChIKeyWTRDJOSVYPQHRO-UHFFFAOYSA-N
XLogP13.68
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.79
LogP ≤ 513.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 19-[10-(19-azapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-19-yl)anthracen-9-yl]-19-azapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaene with MolForge

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Related Compounds

9-phenyl-14-[10-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)anthracen-9-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 170394033
9-[4,7-di(carbazol-9-yl)benzo[a]anthracen-12-yl]carbazole
CID 59412616
19-[3-[3-(19-azapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-19-yl)phenyl]phenyl]-19-azapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaene
CID 88951349
9,14-bis(4-phenylphenyl)-9,14-diazahexacyclo[11.7.0.02,10.03,8.04,19.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-phenyl-14-(4-phenylphenyl)-9,14-diazahexacyclo[11.7.0.02,10.03,8.04,19.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-phenyl-14-[4-(4-phenylphenyl)phenyl]-9,14-diazahexacyclo[11.7.0.02,10.03,8.04,19.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 157082810
CID 176994496
CID 176994496
10-carbazol-9-ylanthracene-9-carbaldehyde
CID 134598541
2-carbazol-9-ylbenzene-1,3-diamine
CID 122584908
9,14-bis(6-carbazol-9-yl-2-pyridinyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 58038361
4-(19-azapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-19-yl)-2,6-bis(7,19-diazapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-19-yl)-3,5-diphenylbenzonitrile
CID 176850394
9-[2,6-bis(2-carbazol-9-ylphenyl)phenyl]-4-carbazol-9-ylcarbazole
CID 177114986
nonadecacyclo[78.4.0.02,73.03,8.09,66.010,37.011,16.017,30.018,23.024,29.031,36.038,65.039,44.045,58.046,51.052,57.059,64.067,72.074,79]tetraoctaconta-1(84),2(73),3,5,7,9,11,13,15,17(30),18,20,22,24,26,28,31,33,35,37,39,41,43,45(58),46,48,50,52,54,56,59,61,63,65,67,69,71,74,76,78,80,82-dotetracontaene
CID 162412244
9-(10-carbazol-9-yl-2,3-diethylanthracen-9-yl)carbazole
CID 143467653

Frequently Asked Questions

What is the IUPAC name of 19-[10-(19-azapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-19-yl)anthracen-9-yl]-19-azapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaene?
The IUPAC name of 19-[10-(19-azapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-19-yl)anthracen-9-yl]-19-azapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaene (CID 88951403) is 19-[10-(19-azapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-19-yl)anthracen-9-yl]-19-azapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaene.
What is the SMILES notation for 19-[10-(19-azapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-19-yl)anthracen-9-yl]-19-azapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaene?
The canonical SMILES for 19-[10-(19-azapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-19-yl)anthracen-9-yl]-19-azapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaene is c1ccc2c(-n3c4cccc5c6ccccc6c6cccc3c6c54)c3ccccc3c(-n3c4cccc5c6ccccc6c6cccc3c6c54)c2c1.
What is the InChIKey of 19-[10-(19-azapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-19-yl)anthracen-9-yl]-19-azapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaene?
The InChIKey is WTRDJOSVYPQHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H28N2/c1-2-14-30-29(13-1)33-21-9-25-41-45(33)46-34(30)22-10-26-42(46)51(41)49-37-17-5-7-19-39(37)50(40-20-8-6-18-38(40)49)52-43-27-11-23-35-31-15-3-4-16-32(31)36-24-12-28-44(52)48(36)47(35)43/h1-28H.
What are the key properties of 19-[10-(19-azapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-19-yl)anthracen-9-yl]-19-azapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaene?
19-[10-(19-azapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-19-yl)anthracen-9-yl]-19-azapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaene has a molecular weight of 656.79 g/mol, XLogP of 13.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 19-[10-(19-azapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-19-yl)anthracen-9-yl]-19-azapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaene is sourced from PubChem (CID 88951403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).