3,10,15-trinaphthalen-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene

C44H27N — CID 123252651

IUPAC3,10,15-trinaphthalen-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene
SMILESc1ccc2cc(-c3cc4ccc5cc(-c6ccc7ccccc7c6)cc6c5c4c(c3)n6-c3ccc4ccccc4c3)ccc2c1
InChIInChI=1S/C44H27N/c1-4-10-31-21-34(15-13-28(31)7-1)38-23-36-17-18-37-24-39(35-16-14-29-8-2-5-11-32(29)22-35)27-42-44(37)43(36)41(26-38)45(42)40-20-19-30-9-3-6-12-33(30)25-40/h1-27H
InChIKeyOEGNWMMLVNDACE-UHFFFAOYSA-N
MW569.71 g/mol
LogP12.17
Rot. Bonds3

About 3,10,15-trinaphthalen-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene

3,10,15-trinaphthalen-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene (PubChem CID 123252651) has the molecular formula C44H27N and a molecular weight of 569.71 g/mol. Its IUPAC name is 3,10,15-trinaphthalen-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene.

Molecular Properties

Compound Name3,10,15-trinaphthalen-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene
PubChem CID123252651
Molecular FormulaC44H27N
Molecular Weight569.71 g/mol
Exact Mass569.21
IUPAC Name3,10,15-trinaphthalen-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene
SMILESc1ccc2cc(-c3cc4ccc5cc(-c6ccc7ccccc7c6)cc6c5c4c(c3)n6-c3ccc4ccccc4c3)ccc2c1
InChIInChI=1S/C44H27N/c1-4-10-31-21-34(15-13-28(31)7-1)38-23-36-17-18-37-24-39(35-16-14-29-8-2-5-11-32(29)22-35)27-42-44(37)43(36)41(26-38)45(42)40-20-19-30-9-3-6-12-33(30)25-40/h1-27H
InChIKeyOEGNWMMLVNDACE-UHFFFAOYSA-N
XLogP12.17
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.71
LogP ≤ 512.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-naphthalen-2-yl-10-(2,3,4,5,6-pentadeuteriophenyl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene
CID 129034397
3-[6-[6-(3,5-diphenylphenyl)naphthalen-2-yl]naphthalen-2-yl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene
CID 90397305
N,N,7,9-tetranaphthalen-2-ylcarbazol-2-amine
CID 146573842
3-isocyano-10-[4-(7-naphthalen-2-ylpyren-2-yl)phenyl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene
CID 123848515
7-naphthalen-2-yl-10-(7-naphthalen-2-ylbenzo[c]carbazol-10-yl)benzo[c]carbazole
CID 118919598
3,6-dinaphthalen-2-yl-9-phenanthren-2-ylcarbazole
CID 177074724
1,2-dinaphthalen-2-yl-6-(2-naphthalen-2-yl-1-phenylindol-5-yl)indole
CID 144508733
ethane;9-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole
CID 142515451
7-naphthalen-2-yl-2-phenanthren-2-ylbenzo[c]carbazole
CID 130351506
3,10-di(carbazol-9-yl)-15-[4-(3,5-diphenylphenyl)phenyl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene
CID 118137464
14-anthracen-2-yl-9-naphthalen-2-yl-6-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 172545565
3-isocyano-15-phenyl-10-[6-(7-phenylpyren-2-yl)naphthalen-2-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene
CID 123937352

Frequently Asked Questions

What is the IUPAC name of 3,10,15-trinaphthalen-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene?
The IUPAC name of 3,10,15-trinaphthalen-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene (CID 123252651) is 3,10,15-trinaphthalen-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene.
What is the SMILES notation for 3,10,15-trinaphthalen-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene?
The canonical SMILES for 3,10,15-trinaphthalen-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene is c1ccc2cc(-c3cc4ccc5cc(-c6ccc7ccccc7c6)cc6c5c4c(c3)n6-c3ccc4ccccc4c3)ccc2c1.
What is the InChIKey of 3,10,15-trinaphthalen-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene?
The InChIKey is OEGNWMMLVNDACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27N/c1-4-10-31-21-34(15-13-28(31)7-1)38-23-36-17-18-37-24-39(35-16-14-29-8-2-5-11-32(29)22-35)27-42-44(37)43(36)41(26-38)45(42)40-20-19-30-9-3-6-12-33(30)25-40/h1-27H.
What are the key properties of 3,10,15-trinaphthalen-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene?
3,10,15-trinaphthalen-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene has a molecular weight of 569.71 g/mol, XLogP of 12.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,10,15-trinaphthalen-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene is sourced from PubChem (CID 123252651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).